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

• ChemBase编号: 778556
• 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)CC(C(=O)NC)C
• Canonical SMILES: CNC(=O)C(CN1CC(CCC1=O)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C22H26N2O2/c1-17(21(26)23-2)15-24-16-22(14-13-20(24)25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3,(H,23,26)
• InChIKey: ZWVXYZRPGAYMME-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 15.918515
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.7739327
• LogD (pH = 7.4): 2.773933
• Log P: 2.773933
• 摩尔折射率: 113.3871 cm^3
• 极化性: 40.02957 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: 2.67
• LOG S: -3.94
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 5