N-methyl-2-(1-methyl-1H-indol-3-yl)-N-[1-(pyridin-2-yl)propan-2-yl]acetamide

• ChemBase编号: 458774
• 分子式: C20H23N3O
• 平均质量: 321.41612
• 单一同位素质量: 321.18411237
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)N(C(Cc1ncccc1)C)C
• Canonical SMILES: CN(C(=O)Cc1cn(c2c1cccc2)C)C(Cc1ccccn1)C
• InChI: InChI=1S/C20H23N3O/c1-15(12-17-8-6-7-11-21-17)23(3)20(24)13-16-14-22(2)19-10-5-4-9-18(16)19/h4-11,14-15H,12-13H2,1-3H3
• InChIKey: JQOPBGTXJJDYPR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(1-methyl-1H-indol-3-yl)-N-[1-(pyridin-2-yl)propan-2-yl]acetamide
• IUPAC传统名: N-methyl-2-(1-methylindol-3-yl)-N-[1-(pyridin-2-yl)propan-2-yl]acetamide
• 别名: N-methyl-2-(1-methyl-1H-indol-3-yl)-N-(1-methyl-2-pyridin-2-ylethyl)acetamide

理论计算性质

Provided by Chembridge

• 极化表面积: 38.13 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 2
• 质子供体: 0
• Log P: 2.33
• LOG S: -2.23

JChem

• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.7724457
• LogD (pH = 7.4): 2.8151276
• Log P: 2.815702
• 摩尔折射率: 96.0161 cm^3
• 极化性: 38.288174 Å^3
• 极化表面积: 38.13 Å^2