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

• ChemBase编号: 729943
• 分子式: C24H28N2O2
• 平均质量: 376.49132
• 单一同位素质量: 376.21507815
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)N(C1CC1)CCC)Cc1ccccc1
• Canonical SMILES: CCCN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)C1CC1
• InChI: InChI=1S/C24H28N2O2/c1-3-15-26(19-13-14-19)22(27)17-24(16-18-9-5-4-6-10-18)20-11-7-8-12-21(20)25(2)23(24)28/h4-12,19H,3,13-17H2,1-2H3
• InChIKey: YITWEHZGRBAHAH-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-cyclopropyl-N-propylacetamide
• IUPAC传统名: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-cyclopropyl-N-propylacetamide
• 别名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-cyclopropyl-N-propylacetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.7231205
• LogD (pH = 7.4): 3.7231207
• Log P: 3.7231207
• 摩尔折射率: 110.8381 cm^3
• 极化性: 42.97113 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 4.01
• LOG S: -5.37
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 7