N-benzyl-4,7-dimethoxy-N,1-dimethyl-1H-indole-2-carboxamide

• ChemBase编号: 226424
• 分子式: C20H22N2O3
• 平均质量: 338.40028
• 单一同位素质量: 338.16304257
• SMILES: c1(n(c2c(c1)c(ccc2OC)OC)C)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: COc1ccc(c2c1n(C)c(c2)C(=O)N(Cc1ccccc1)C)OC
• InChI: InChI=1S/C20H22N2O3/c1-21(13-14-8-6-5-7-9-14)20(23)16-12-15-17(24-3)10-11-18(25-4)19(15)22(16)2/h5-12H,13H2,1-4H3
• InChIKey: CNOBVJCYVLZREU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-4,7-dimethoxy-N,1-dimethyl-1H-indole-2-carboxamide
• IUPAC传统名: N-benzyl-4,7-dimethoxy-N,1-dimethylindole-2-carboxamide

登记号

• PubChem SID: 164282334
• PubChem CID: 71692365

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.922808
• LogD (pH = 7.4): 2.922808
• Log P: 2.922808
• 摩尔折射率: 98.3295 cm^3
• 极化性: 38.45656 Å^3
• 极化表面积: 43.7 Å^2
• 可自由旋转的化学键: 5
• 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