N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethoxybenzamide

• ChemBase编号: 218145
• 分子式: C19H20N2O3
• 平均质量: 324.3737
• 单一同位素质量: 324.14739251
• SMILES: c1(C(=O)NCCc2c[nH]c3c2cccc3)c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1C(=O)NCCc1c[nH]c2c1cccc2)OC
• InChI: InChI=1S/C19H20N2O3/c1-23-16-8-5-9-17(24-2)18(16)19(22)20-11-10-13-12-21-15-7-4-3-6-14(13)15/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
• InChIKey: ZPIKOXAOMHTASS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethoxybenzamide
• IUPAC传统名: N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethoxybenzamide

登记号

• PubChem SID: 164274055
• PubChem CID: 16408123

理论计算性质

• Log P: 2.844116
• 摩尔折射率: 93.4136 cm^3
• 极化性: 36.682304 Å^3
• 极化表面积: 63.35 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• Acid pKa: 13.382597
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.844116
• LogD (pH = 7.4): 2.8441155

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds