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

• ChemBase编号: 389520
• 分子式: C23H28N2O3
• 平均质量: 380.48002
• 单一同位素质量: 380.20999277
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)N(CCOC)CC)Cc1ccccc1
• Canonical SMILES: COCCN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)CC
• InChI: InChI=1S/C23H28N2O3/c1-4-25(14-15-28-3)21(26)17-23(16-18-10-6-5-7-11-18)19-12-8-9-13-20(19)24(2)22(23)27/h5-13H,4,14-17H2,1-3H3
• InChIKey: NOSLIMAEMCKYGH-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-ethyl-N-(2-methoxyethyl)acetamide
• IUPAC传统名: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-ethyl-N-(2-methoxyethyl)acetamide
• 别名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2-methoxyethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.6880584
• LogD (pH = 7.4): 2.6880584
• Log P: 2.6880584
• 摩尔折射率: 110.1464 cm^3
• 极化性: 42.542538 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.41
• LOG S: -4.89
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 8