N-[[2-[3-(Dimethylamino)propoxy]phenyl]methyl]-N-[2-(4-nitrophenyl)ethyl]-3-phenyl-2-propenamide, oxalate salt | 65678-53-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N-[[2-[3-(Dimethylamino)propoxy]phenyl]methyl]-N-[2-(4-nitrophenyl)ethyl]-3-phenyl-2-propenamide, oxalate salt
• 英文别名: N-[[2-[3-(Dimethylamino)propoxyl]phenyl]methyl]-N-[2-(4-nitrophenyl)ethyl]-3-phenyl-2-propenamide, oxalate salt；N-[[2-[3(-dimethylamino)-propoxy]phenyl]methyl]-N-[2-(4-nitrophenyl)ethyl]-3-phenyl-2-propenamide, oxalate salt；N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N-[2-(4-nitrophenyl)ethyl]-3-phenylprop-2-enamide;oxalic acid
• CAS: 65678-53-7
• 化学式: C₂H₂O₄*C₂₉H₃₃N₃O₄
• 分子量: 577.634
• InChiKey: IJRAMFWENLDXEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.37
• 重原子数：
  42
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  153
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-[[2-[3-(Dimethylamino)propoxy]phenyl]methyl]-N-[2-(4-nitrophenyl)ethyl]-3-phenyl-2-propenamide, oxalate salt 在 钯 氢气 作用下， 以 乙醇 为溶剂， 生成 N-[2-(4-Aminophenyl)ethyl]-N-[[2-[3-(dimethylamino)propoxy]-phenyl]methyl]-3-phenyl-2-propenamide, oxalate salt
  参考文献：
  名称：

  Substituted amides and sulfonamides containing a heterocyclic group

  摘要：

  具有以下结构式的化合物具有抗炎活性：其中R.sub.1是烷基、环烷基或芳基；R.sub.2是酰基或磺酰基；R.sub.3是含氮杂环基团；A.sub.1是饱和键或具有1至4个碳原子的烷基基团；A.sub.2是具有2至5个碳原子的烷基基团。

  公开号：

  US04122255A1

文献信息

• Substituted amides having antiinflammatory activity
  申请人：E. R. Squibb and Sons, Inc.

  公开号：US04064125A1

  公开（公告）日：1977-12-20

  Compounds having the formula ##STR1## wherein R.sub.1 is alkyl, cycloalkyl or aryl; R.sub.2 is acyl; R.sub.3 is alkylamino or dialkylamino; A.sub.1 is a saturated bond or an alkylene group having 1 to 4 carbon atoms; and A.sub.2 is an alkylene group having 2 to 5 carbon atoms; have antiinflammatory activity.

  具有以下化学式的化合物具有抗炎活性：##STR1## 其中R.sub.1是烷基，环烷基或芳基; R.sub.2是酰基; R.sub.3是烷基氨基或二烷基氨基; A.sub.1是饱和键或具有1至4个碳原子的烷基链; 而A.sub.2是具有2至5个碳原子的烷基链。
• Substituted sulfonamides having antiinflammatory activity
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04127606A1

  公开（公告）日：1978-11-28

  Compounds having the formula ##STR1## wherein R.sub.1 is alkyl, cycloalkyl or aryl; R.sub.2 is sulfonyl; R.sub.3 is alkylamino or dialkylamino; A.sub.1 is a saturated bond or an alkylene group having 1 to 4 carbon atoms; and A.sub.2 is an alkylene group having 2 to 5 carbon atoms; have antiinflammatory activity.

  具有以下化学式的化合物 ##STR1## 其中R.sub.1为烷基、环烷基或芳基；R.sub.2为磺酰基；R.sub.3为烷基氨基或二烷基氨基；A.sub.1为饱和键或具有1至4个碳原子的烷基；A.sub.2为具有2至5个碳原子的烷基，具有抗炎活性。
• Substituted amides and sulfonamides having antiinflammatory activity
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04151354A1

  公开（公告）日：1979-04-24

  Compounds having the formula ##STR1## wherein R.sub.1 is alkyl, cycloalkyl or aryl; R.sub.2 is acyl or sulfonyl; R.sub.3 is a nitrogen containing heterocyclic group; A.sub.1 is a saturated bond or an alkylene group having 1 to 4 carbon atoms; and A.sub.2 is an alkylene group having 2 to 5 carbon atoms; have antiinflammatory activity.

  化合物的化学式为##STR1##其中R.sub.1为烷基、环烷基或芳基；R.sub.2为酰基或磺酰基；R.sub.3为含氮杂环基团；A.sub.1为饱和键或具有1至4个碳原子的烷基链；A.sub.2为具有2至5个碳原子的烷基链；具有抗炎活性。