N,N'-bis(2-hydroxy-1-methylethyl)phthalamide

• 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,N'-bis(2-hydroxy-1-methylethyl)phthalamide
• 英文别名: 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
• 化学式: C₁₄H₂₀N₂O₄
• 分子量: 280.324
• InChiKey: XAVIHJICPQSNDA-NXEZZACHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  98.7
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  D-氨基丙醇 、 1,2-二氰基苯 在 iron(II) acetate 作用下， 反应 168000.0h， 生成 N,N'-bis(2-hydroxy-1-methylethyl)phthalamide
  参考文献：
  名称：

  Constructor graph description of hydrogen bonding in a supramolecular assembly ofN,N′-bis(2-hydroxy-1-methylethyl)phthalamide

  摘要：

  Hydrogen bonds of four types (N-(HO)-O-... C, N-(HOH)-O-..., O-(HO)-O-...=C and O-(HOH)-O-...) connect molecules of the title compound, C14H20N2O4, in the crystal into sheets folded into a zigzag pattern. The intermolecular interactions are discussed in terms of the first-through fourth-level graph sets, and a constructor graph helps visualize the supramolecular assembly.

  DOI：

  10.1107/s0108270107009146

文献信息

• Constructor graph description of hydrogen bonding in a supramolecular assembly of<i>N</i>,<i>N</i>′-bis(2-hydroxy-1-methylethyl)phthalamide
  作者：Ilia A. Guzei、Lara C. Spencer、Robert W. McGaff、Heidi M. Kieler、Jerome R. Robinson

  DOI：10.1107/s0108270107009146

  日期：2007.4.15

  Hydrogen bonds of four types (N-(HO)-O-... C, N-(HOH)-O-..., O-(HO)-O-...=C and O-(HOH)-O-...) connect molecules of the title compound, C14H20N2O4, in the crystal into sheets folded into a zigzag pattern. The intermolecular interactions are discussed in terms of the first-through fourth-level graph sets, and a constructor graph helps visualize the supramolecular assembly.