N'-methyl-3-(4-isopropylbenzyloxy carbonylamino)benzamide | 276252-39-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N'-methyl-3-(4-isopropylbenzyloxy carbonylamino)benzamide
• 英文别名: (4-propan-2-ylphenyl)methyl N-[3-(methylcarbamoyl)phenyl]carbamate
• CAS: 276252-39-2
• 化学式: C₁₉H₂₂N₂O₃
• 分子量: 326.395
• InChiKey: LSQMAGYTXJYGIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Amide derivatives
  申请人：Mitsubishi Chemical Corporation

  公开号：US20030083523A1

  公开（公告）日：2003-05-01

  A compound represented by the following general formula (I): 1 wherein X represents R 1 (R 2 )R 3 )C- where R 1 represents a C 3 -C 8 cycloalkyl group, an optionally substituted C 6 -C 14 aryl group, an optionally substituted heterocyclic residue, an optionally substituted C 6 -C 14 aryloxy group, or an optionally substituted C 7 -C 15 arylmethyl group; R 2 and R 3 independently represent hydrogen atom or a C 1 -C 5 alkyl group, or R 2 and R 3 may combine to represent a C 2 -C 7 alkylene group; or X represents R 7 -A- wherein R 7 represents (i) a C1-C10 alkyl group which may optionally be substituted with an optionally substituted C6-C14 aryl group, an optionally substituted fluorenyl group or an optionally substituted heterocyclic group, (ii) an optionally substituted C6-C14 aryl group or (iii) an optionally substituted heterocyclic group, and A represents an oxygen atom or -N-R 8 where R 8 represents hydrogen atom or a C1-C5 alkyl group. Y represents an oxygen atom or a sulfur atom, R 4 and R 5 independently represent hydrogen atom or a C 1 -C 5 alkyl group; and R 6 represents hydrogen atom, a C 1 -C 5 alkyl group which may optionally be substituted with a hydroxyl group, a hydroxyl group or a C 1 -C 5 alkoxy group, provided that the compounds wherein R 7 is a benzyl group, A and Y are an oxygen atom, R 4 and R 5 are hydrogen atom, and R 6 is a propyl group are excluded, or a salt thereof, or a solvate thereof or a hydrate thereof.

  以下是以以下通式（I）表示的化合物： 其中，X表示R1（R2）R3）C-，其中R1表示C3-C8环烷基，可选择性取代的C6-C14芳基，可选择性取代的杂环残基，可选择性取代的C6-C14芳氧基或可选择性取代的C7-C15芳基甲基基团；R2和R3独立地表示氢原子或C1-C5烷基，或R2和R3可以结合表示C2-C7烷基；或者X表示R7-A-，其中R7表示（i）C1-C10烷基，该烷基可以选择性地被取代为可选择性取代的C6-C14芳基，可选择性取代的芴基或可选择性取代的杂环基，（ii）可选择性取代的C6-C14芳基或（iii）可选择性取代的杂环基，A表示氧原子或-N-R8，其中R8表示氢原子或C1-C5烷基。Y表示氧原子或硫原子，R4和R5独立地表示氢原子或C1-C5烷基；R6表示氢原子，C1-C5烷基，该烷基可以选择性地被羟基取代，羟基或C1-C5烷氧基，前提是当R7为苄基时，A和Y均为氧原子，R4和R5均为氢原子，R6为丙基基团的化合物被排除，或其盐，溶剂化合物或水合物。
• AMIDE DERIVATIVES
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：EP1142868A1

  公开（公告）日：2001-10-10

  Amide derivatives represented by the following general formula (I) and their pharmaceutically acceptable salts, as well as solvates and hydrates thereof, which exhibit anti-Helicobacter pylori activity and are useful as active ingredients for pharmaceutical compositions. (wherein R1 represents [1] a C1-C10 alkyl group optionally substituted with an optionally substituted C6-C14 aryl group, fluorenyl group or heterocycle residue, [2] an optionally substituted C6-C14 aryl group or [3] an optionally substituted heterocycle residue; R2, R3 and R4 each independently represent a hydrogen atom or a C1-C5 alkyl group; X represents an oxygen atom or N-R5 (where R5 represents a hydrogen atom or a C1-C6 alkyl group); and Y represents an oxygen atom or sulfur atom. Excluded are compounds wherein R1 is benzyl, R2 and R3 are hydrogen atoms, R4 is propyl and X and Y are oxygen atoms.)

  由以下通式(I)代表的酰胺衍生物及其药学上可接受的盐，以及它们的溶剂和水合物，它们具有抗幽门螺杆菌活性，可用作药物组合物的活性成分。 (其中 R1 代表[1]任选被任选取代的 C6-C14 芳基、芴基或杂环残基取代的 C1-C10 烷基，[2]任选被任选取代的 C6-C14 芳基或[3]任选被任选取代的杂环残基；R2、R3 和 R4 各自独立地代表氢原子或 C1-C5 烷基；X 代表氧原子或 N-R5（其中 R5 代表氢原子或 C1-C6 烷基）；Y 代表氧原子或硫原子。不包括 R1 为苄基，R2 和 R3 为氢原子，R4 为丙基，X 和 Y 为氧原子的化合物)。
• US6444849B1
  申请人：——

  公开号：US6444849B1

  公开（公告）日：2002-09-03