N-(2-hydroxyphenyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanediamide

• ChemBase编号: 223154
• 分子式: C19H19N3O4
• 平均质量: 353.37186
• 单一同位素质量: 353.1375561
• SMILES: C(=O)(Nc1c(O)cccc1)C(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C(=O)Nc1ccccc1O)c[nH]2
• InChI: InChI=1S/C19H19N3O4/c1-26-13-6-7-15-14(10-13)12(11-21-15)8-9-20-18(24)19(25)22-16-4-2-3-5-17(16)23/h2-7,10-11,21,23H,8-9H2,1H3,(H,20,24)(H,22,25)
• InChIKey: GCNAETMZLSAEEZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-hydroxyphenyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanediamide
• IUPAC传统名: N-(2-hydroxyphenyl)-N'-[2-(5-methoxy-1H-indol-3-yl)ethyl]ethanediamide

登记号

• PubChem SID: 164279064
• PubChem CID: 45490737

理论计算性质

• Acid pKa: 8.700537
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): 2.2376719
• LogD (pH = 7.4): 2.216891
• Log P: 2.2379434
• 摩尔折射率: 98.333 cm^3
• 极化性: 38.013836 Å^3
• 极化表面积: 103.45 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds