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

• ChemBase编号: 839330
• 分子式: C24H22N2O2
• 平均质量: 370.44368
• 单一同位素质量: 370.16812795
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)Nc1ccccc1)Cc1ccccc1
• Canonical SMILES: O=C(CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)Nc1ccccc1
• InChI: InChI=1S/C24H22N2O2/c1-26-21-15-9-8-14-20(21)24(23(26)28,16-18-10-4-2-5-11-18)17-22(27)25-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,25,27)
• InChIKey: MDIIPJIBLDIONG-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-phenylacetamide
• IUPAC传统名: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
• 别名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-phenylacetamide

理论计算性质

JChem

• Acid pKa: 14.137371
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.172118
• LogD (pH = 7.4): 4.172118
• Log P: 4.172118
• 摩尔折射率: 111.016 cm^3
• 极化性: 42.24288 Å^3
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 1
• Log P: 4.4
• LOG S: -5.66
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 5