N-(cyclohexylmethyl)-2-(3-methyl-2-oxo-azetidin-1-yl)-3-phenyl-propanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(cyclohexylmethyl)-2-(3-methyl-2-oxo-azetidin-1-yl)-3-phenyl-propanamide
• 英文别名: N-(cyclohexylmethyl)-2-(3-methyl-2-oxoazetidin-1-yl)-3-phenylpropanamide
• 化学式: C₂₀H₂₈N₂O₂
• 分子量: 328.455
• InChiKey: NYJQUNMIEORACL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氨基异丁酸 、 苯乙醛 、 cyclohexyl isocyanide 以 甲醇 为溶剂， 反应 24.0h， 生成 N-(cyclohexylmethyl)-2-(3-methyl-2-oxo-azetidin-1-yl)-3-phenyl-propanamide
  参考文献：
  名称：

  Solution-phase synthesis of a combinatorial monocyclic β-lactam library: Potential protease inhibitors

  摘要：

  A 126-member library of monocyclic beta-lactams was generated in parallel fashion by solution-phase Ugi four-component condensation reaction between beta-amino acids, aldehydes, and isocyanides, The library was designed to identify potential human leukocyte elastase inhibitors. The approach is also capable of optimizing the lead compounds generated in the original library. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10170-6

文献信息

• Solution-phase synthesis of a combinatorial monocyclic β-lactam library: Potential protease inhibitors
  作者：János Pitlik、Craig A Townsend

  DOI：10.1016/s0960-894x(97)10170-6

  日期：1997.12

  A 126-member library of monocyclic beta-lactams was generated in parallel fashion by solution-phase Ugi four-component condensation reaction between beta-amino acids, aldehydes, and isocyanides, The library was designed to identify potential human leukocyte elastase inhibitors. The approach is also capable of optimizing the lead compounds generated in the original library. (C) 1997 Elsevier Science Ltd.