83608-86-0 ((2-Propenamide,3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-)

CAS号:
83608-86-0
英文名称:
2-Propenamide,3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-
分子式:
C19H21NO5
分子量:
343.373745679855

2-Propenamide,3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-(83608-86-0)名称与标识符

名称

英文别名:
2-Propenamide,3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-;3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide;3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide;(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide;FS-9038;trans-feruloylmethoxytyramine;BDBM50349821;(E)-N-feruloyl-3-methoxytyramine;CS-0023538;(2E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide;N-Transferuloyl 3-O-methyldopamine;trans-N-feruloyl-3-o-methyldopamine;CHEMBL226588;NSC-723670;Q27135870;Hmp-hmpep;feruloylhomovanillylamine;2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-, (2E)-;N-trans-Feruloyl-3-methoxytyramine;HY-N3191;(E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]prop-2-enamide;83608-86-0;N-trans-feruloylmethoxytyramine;AKOS025288021;n-feruloyl-3-methoxytyramine;2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-, (E)-;693Y4AOA91;N-Feruloyl-3-methoxytyramine, (E)-;E88662;UNII-693Y4AOA91;DTXSID201304540;N-trans-Feruloyl-3-methyldopamine;NSC723670;CHEBI:67408;78510-19-7;(E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide;

标识符

InChIKey:
GRXBVKANHNUZNL-VMPITWQZSA-N
Inchi:
1S/C19H21NO5/c1-24-17-11-13(3-6-15(17)21)5-8-19(23)20-10-9-14-4-7-16(22)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+
SMILES:
O(C)C1=C(C=CC(=C1)CCNC(/C=C/C1C=CC(=C(C=1)OC)O)=O)O

2-Propenamide,3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-(83608-86-0)物化性质

计算特性

  • 精确分子量 : 343.14197277g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 7
  • 同位素质量 : 343.14197277g/mol
  • 重原子数量 : 25
  • 复杂度 : 442
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.1
  • 拓扑分子极性表面积 : 88Ų