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

• ChemBase编号: 761719
• 分子式: C23H26N2O2
• 平均质量: 362.46474
• 单一同位素质量: 362.19942808
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)N(C1CC1)CC)Cc1ccccc1
• Canonical SMILES: CCN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)C1CC1
• InChI: InChI=1S/C23H26N2O2/c1-3-25(18-13-14-18)21(26)16-23(15-17-9-5-4-6-10-17)19-11-7-8-12-20(19)24(2)22(23)27/h4-12,18H,3,13-16H2,1-2H3
• InChIKey: CGHJRZUKDVHCET-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-ethylacetamide
• IUPAC传统名: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-cyclopropyl-N-ethylacetamide
• 别名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-cyclopropyl-N-ethylacetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.2005982
• LogD (pH = 7.4): 3.2005985
• Log P: 3.2005985
• 摩尔折射率: 106.3141 cm^3
• 极化性: 41.127182 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: 3.47
• LOG S: -4.81
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 6