N,N-dimethyl-3-(2-oxo-5,5-diphenylpiperidin-1-yl)propanamide

• ChemBase编号: 430799
• 分子式: C22H26N2O2
• 平均质量: 350.45404
• 单一同位素质量: 350.19942808
• SMILES: N1(CC(CCC1=O)(c1ccccc1)c1ccccc1)CCC(=O)N(C)C
• Canonical SMILES: CN(C(=O)CCN1CC(CCC1=O)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C22H26N2O2/c1-23(2)20(25)14-16-24-17-22(15-13-21(24)26,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3
• InChIKey: VBPGMWWDSIRWOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-(2-oxo-5,5-diphenylpiperidin-1-yl)propanamide
• IUPAC传统名: N,N-dimethyl-3-(2-oxo-5,5-diphenylpiperidin-1-yl)propanamide
• 别名: N,N-dimethyl-3-(2-oxo-5,5-diphenylpiperidin-1-yl)propanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4546225
• LogD (pH = 7.4): 2.4546225
• Log P: 2.4546225
• 摩尔折射率: 113.7093 cm^3
• 极化性: 40.02957 Å^3
• 极化表面积: 40.62 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: 0
• Log P: 2.62
• LOG S: -3.76
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 5