2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-methylpropyl)acetamide

• ChemBase编号: 843621
• 分子式: C23H28N2O2
• 平均质量: 364.48062
• 单一同位素质量: 364.21507815
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)N(CC(C)C)C)Cc1ccccc1
• Canonical SMILES: CC(CN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)C)C
• InChI: InChI=1S/C23H28N2O2/c1-17(2)16-24(3)21(26)15-23(14-18-10-6-5-7-11-18)19-12-8-9-13-20(19)25(4)22(23)27/h5-13,17H,14-16H2,1-4H3
• InChIKey: NVNKPMOUEFMENV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-methylpropyl)acetamide
• IUPAC传统名: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-methyl-N-(2-methylpropyl)acetamide
• 别名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-isobutyl-N-methylacetamide

理论计算性质

JChem

• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.622529
• LogD (pH = 7.4): 3.622529
• Log P: 3.622529
• 摩尔折射率: 108.0985 cm^3
• 极化性: 41.860363 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 6

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.99
• LOG S: -5.26
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 6