N-环己基-4-氧代-4-[3-(三氟甲基)苯基]丁酰胺 | 93040-72-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: N-环己基-4-氧代-4-[3-(三氟甲基)苯基]丁酰胺
• 英文名称: N-Cyclohexyl-gamma-oxo-3-(trifluoromethyl)benzenebutanamide
• 英文别名: N-cyclohexyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanamide
• CAS: 93040-72-3
• 化学式: C₁₇H₂₀F₃NO₂
• 分子量: 327.347
• InChiKey: ZOPBIJHCHIOAKF-UHFFFAOYSA-N

物化性质

• 沸点：
  464.5±45.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氧代-4-[3-(三氟甲基)苯基]丁酸 、 环己胺 在 氯甲酸乙酯 、 三乙胺 作用下， 生成 N-环己基-4-氧代-4-[3-(三氟甲基)苯基]丁酰胺
  参考文献：
  名称：

  Sleep-inducing N-alkyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)cinnamamides

  摘要：

  A series of N-alkyl-3-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)-cinnamamides were prepared and screened in a series of tests designed to detect potential sleep inducers. The more active members of the series were evaluated for their ability to induce sleep in Cebus monkeys. The most active compound, N-methyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinone, was equal to methaqualone.

  DOI：

  10.1021/jm00379a007

文献信息

• HOULIHAN, W.;GOGERTY, J. H.;RYAN, E. A.;SCHMITT, G., J. MED. CHEM., 1985, 28, N 1, 28-31
  作者：HOULIHAN, W.、GOGERTY, J. H.、RYAN, E. A.、SCHMITT, G.

  DOI：——

  日期：——
• Sleep-inducing N-alkyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)cinnamamides
  作者：William J. Houlihan、John H. Gogerty、Eileen A. Ryan、Gemma Schmitt

  DOI：10.1021/jm00379a007

  日期：1985.1

  A series of N-alkyl-3-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)-cinnamamides were prepared and screened in a series of tests designed to detect potential sleep inducers. The more active members of the series were evaluated for their ability to induce sleep in Cebus monkeys. The most active compound, N-methyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinone, was equal to methaqualone.