(1R,2S,5R)-2-isopropyl-5-methyl-N-(quinolin-3-ylmethyl)cyclohexanecarboxamide | 1254731-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (1R,2S,5R)-2-isopropyl-5-methyl-N-(quinolin-3-ylmethyl)cyclohexanecarboxamide
• 英文别名: (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(quinolin-3-ylmethyl)cyclohexane-1-carboxamide
• CAS: 1254731-87-7
• 化学式: C₂₁H₂₈N₂O
• 分子量: 324.466
• InChiKey: RMGTWFLLDVGZHD-AYOQOUSVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Organic Compounds Having Cooling Properties
  申请人：Furrer Stefan Michael

  公开号：US20120095042A1

  公开（公告）日：2012-04-19

  Provided are compounds of formula (I) wherein m is 0, 1 or 2; R I is a mono- or bicyclic heterocyclic ring system including one, two or three heteroatoms selected from nitrogen, sulphur and oxygen; R 2 is selected from hydrogen, methyl and ethyl; I) R 3 is hydrogen, methyl, or ethyl; and R 4 and R 5 are independently selected from ethyl and isopropyl; and R 3 , R 4 and R 5 together have at least 6 carbon atoms: or II) any two or all of R 3 , R 4 and R 5 form together with the carbon atom to which they are attached 3-para-menthyl, bornyl, or adamantyl; having cooling properties, their use as cooling agent and compositions including them.

  提供的化合物为公式(I)，其中m为0、1或2；RI为单环或双环杂环环系统，包括从氮、硫和氧中选择的一个、两个或三个杂原子；R2选择氢、甲基和乙基；I）R3为氢、甲基或乙基；R4和R5独立选择自乙基和异丙基；且R3、R4和R5共有至少6个碳原子；或II）R3、R4和R5中的任意两个或全部与它们所连接的碳原子形成3-对薄荷基、博尔尼基或金刚烷基；具有冷却性质，其用途为冷却剂和包括它们的组合物。
• US8664261B2
  申请人：——

  公开号：US8664261B2

  公开（公告）日：2014-03-04
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：GIVAUDAN SA

  公开号：WO2010128026A2

  公开（公告）日：2010-11-11

  Provided are compounds of formula (I) wherein m is 0, 1 or 2; R1 is a mono- or bicyclic heterocyclic ring system comprising one, two or three heteroatoms selected from nitrogen, sulphur and oxygen; R2 is selected from hydrogen, methyl and ethyl; I) R3 is hydrogen, methyl, or ethyl; and R4 and R5 are independently selected from ethyl and isopropyl; and R3, R4 and R5 together comprise at least 6 carbon atoms; or II) any two or ail of R3, R4 and R5 form together with the carbon atom to which they are attached 3-para-menthyl, bornyl, or adamantly; having cooling properties, their use as cooling agent and compositions comprising them.