2-methyl-N-[2-(2-oxo-5,5-diphenylpiperidin-1-yl)ethyl]propanamide

• ChemBase编号: 743068
• 分子式: C23H28N2O2
• 平均质量: 364.48062
• 单一同位素质量: 364.21507815
• SMILES: C1(CN(C(=O)CC1)CCNC(=O)C(C)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(C(=O)NCCN1CC(CCC1=O)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C23H28N2O2/c1-18(2)22(27)24-15-16-25-17-23(14-13-21(25)26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3,(H,24,27)
• InChIKey: DEORZLLHXALRMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-N-[2-(2-oxo-5,5-diphenylpiperidin-1-yl)ethyl]propanamide
• IUPAC传统名: 2-methyl-N-[2-(2-oxo-5,5-diphenylpiperidin-1-yl)ethyl]propanamide
• 别名: 2-methyl-N-[2-(2-oxo-5,5-diphenylpiperidin-1-yl)ethyl]propanamide

理论计算性质

JChem

• Acid pKa: 15.894978
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.3646019
• LogD (pH = 7.4): 3.364602
• Log P: 3.364602
• 摩尔折射率: 117.9047 cm^3
• 极化性: 41.873825 Å^3
• 极化表面积: 49.41 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: 1
• Log P: 3.2
• LOG S: -4.46
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 6