N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)butyramide | 1227951-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)butyramide
• 英文别名: N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide
• CAS: 1227951-40-7
• 化学式: C₂₁H₂₇NO₃
• 分子量: 341.45
• InChiKey: YFQXLSIRGZVJOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(2-benzyloxy-5-methoxyphenyl)propylamine 、 丁酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(3-(2-(benzyloxy)-5-methoxyphenyl)propyl)butyramide
  参考文献：
  名称：

  Synthesis of substituted N-[3-(3-methoxyphenyl)propyl] amides as highly potent MT2-selective melatonin ligands

  摘要：

  A series of substituted N-[3-(3-methoxyphenyl)propyl]amides were synthesized and their binding affinities towards human melatonin MT1 and MT2 receptors were evaluated. It was discovered that a benzyloxyl substituent incorporated at C6 position of the 3- methoxyphenyl ring dramatically enhanced the MT2 binding affinity and at the same time decreased MT1 binding affinity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.084

文献信息

• Synthesis of substituted N-[3-(3-methoxyphenyl)propyl] amides as highly potent MT2-selective melatonin ligands
  作者：Yueqing Hu、Maurice K.C. Ho、King H. Chan、David C. New、Yung H. Wong

  DOI：10.1016/j.bmcl.2010.02.084

  日期：2010.4

  A series of substituted N-[3-(3-methoxyphenyl)propyl]amides were synthesized and their binding affinities towards human melatonin MT1 and MT2 receptors were evaluated. It was discovered that a benzyloxyl substituent incorporated at C6 position of the 3- methoxyphenyl ring dramatically enhanced the MT2 binding affinity and at the same time decreased MT1 binding affinity. (C) 2010 Elsevier Ltd. All rights reserved.