3-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(propan-2-yl)propanamide

• ChemBase编号: 625425
• 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)(CCC(=O)N(C(C)C)C)Cc1ccccc1
• Canonical SMILES: CN(C(=O)CCC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)C(C)C
• InChI: InChI=1S/C23H28N2O2/c1-17(2)24(3)21(26)14-15-23(16-18-10-6-5-7-11-18)19-12-8-9-13-20(19)25(4)22(23)27/h5-13,17H,14-16H2,1-4H3
• InChIKey: VKNPHNDYJRNNPM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(propan-2-yl)propanamide
• IUPAC传统名: 3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-isopropyl-N-methylpropanamide
• 别名: 3-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-isopropyl-N-methylpropanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.5961773
• LogD (pH = 7.4): 3.5961776
• Log P: 3.5961776
• 摩尔折射率: 108.1227 cm^3
• 极化性: 41.86043 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.71
• LOG S: -5.03
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 6