2-(3,4-dimethoxyphenyl)-N-[2-(5-methoxy-1H-indol-1-yl)ethyl]acetamide

• ChemBase编号: 226211
• 分子式: C21H24N2O4
• 平均质量: 368.42626
• 单一同位素质量: 368.17360726
• SMILES: n1(c2c(cc1)cc(cc2)OC)CCNC(=O)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc2c(c1)ccn2CCNC(=O)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C21H24N2O4/c1-25-17-5-6-18-16(14-17)8-10-23(18)11-9-22-21(24)13-15-4-7-19(26-2)20(12-15)27-3/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,22,24)
• InChIKey: YQYXXAMPPTUADF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,4-dimethoxyphenyl)-N-[2-(5-methoxy-1H-indol-1-yl)ethyl]acetamide
• IUPAC传统名: 2-(3,4-dimethoxyphenyl)-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide

登记号

• PubChem SID: 164282121
• PubChem CID: 52026863

理论计算性质

• Acid pKa: 15.394664
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.6788726
• LogD (pH = 7.4): 2.6788726
• Log P: 2.6788726
• 摩尔折射率: 103.5463 cm^3
• 极化性: 41.24935 Å^3
• 极化表面积: 61.72 Å^2
• 可自由旋转的化学键: 8
• 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