N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1-methyl-1H-indole-6-carboxamide

• ChemBase编号: 523904
• 分子式: C22H26N2O3
• 平均质量: 366.45344
• 单一同位素质量: 366.1943427
• SMILES: C(=O)(c1cc2n(ccc2cc1)C)N(Cc1ccc(cc1)OC)CCCOC
• Canonical SMILES: COCCCN(C(=O)c1ccc2c(c1)n(C)cc2)Cc1ccc(cc1)OC
• InChI: InChI=1S/C22H26N2O3/c1-23-13-11-18-7-8-19(15-21(18)23)22(25)24(12-4-14-26-2)16-17-5-9-20(27-3)10-6-17/h5-11,13,15H,4,12,14,16H2,1-3H3
• InChIKey: WLLLDFVZBWUQOZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1-methyl-1H-indole-6-carboxamide
• IUPAC传统名: N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1-methylindole-6-carboxamide
• 别名: N-(4-methoxybenzyl)-N-(3-methoxypropyl)-1-methyl-1H-indole-6-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.1734624
• LogD (pH = 7.4): 3.1734624
• Log P: 3.1734624
• 摩尔折射率: 107.8977 cm^3
• 极化性: 42.14837 Å^3
• 极化表面积: 43.7 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.68
• LOG S: -4.16
• 极化表面积: 43.7 Å^2
• 可自由旋转的化学键: 8