N-[2-[3-(2-ethylhexylcarbamoyl)-4-octoxyanilino]-2-oxoethyl]-2-octoxy-5-(pentanoylamino)benzamide | 1228757-96-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[2-[3-(2-ethylhexylcarbamoyl)-4-octoxyanilino]-2-oxoethyl]-2-octoxy-5-(pentanoylamino)benzamide
• CAS: 1228757-96-7
• 化学式: C₄₅H₇₂N₄O₆
• 分子量: 765.09
• InChiKey: TXQFKLBWQOHMFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  55
• 可旋转键数：
  31
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  、 2-(2-(octyloxy)-5-pentanamidobenzamido)acetic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以58%的产率得到N-[2-[3-(2-ethylhexylcarbamoyl)-4-octoxyanilino]-2-oxoethyl]-2-octoxy-5-(pentanoylamino)benzamide
  参考文献：
  名称：

  Oligoamide Duplexes as Organogelators

  摘要：

  Oligoamide duplexes carrying multiple alkyl side chains were found to serve as gelators for aromatic solvents. The double-stranded backbone was essential for the hierarchical self-assembly of the molecular duplex into fibers of high aspect ratios. The demonstrated gelating abilities may be extended to a large family of analogous H-bonded duplexes having different H-bonding sequences, leading to a unique platform for developing a diverse variety of potential gelators based on a supramolecular and/or a dynamic covalent approach.

  DOI：

  10.1021/ol100953e

文献信息

• Oligoamide Duplexes as Organogelators
  作者：Ruikai Cao、Jingjing Zhou、Wei Wang、Wen Feng、Xianghui Li、Penghui Zhang、Pengchi Deng、Lihua Yuan、Bing Gong

  DOI：10.1021/ol100953e

  日期：2010.7.2

  Oligoamide duplexes carrying multiple alkyl side chains were found to serve as gelators for aromatic solvents. The double-stranded backbone was essential for the hierarchical self-assembly of the molecular duplex into fibers of high aspect ratios. The demonstrated gelating abilities may be extended to a large family of analogous H-bonded duplexes having different H-bonding sequences, leading to a unique platform for developing a diverse variety of potential gelators based on a supramolecular and/or a dynamic covalent approach.