2-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethoxy]acetamide

• ChemBase编号: 349148
• 分子式: C21H24N2O3
• 平均质量: 352.42686
• 单一同位素质量: 352.17869264
• SMILES: N1(CC(c2ccccc2)(c2ccccc2)CCC1)C(=O)COCC(=O)N
• Canonical SMILES: NC(=O)COCC(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H24N2O3/c22-19(24)14-26-15-20(25)23-13-7-12-21(16-23,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11H,7,12-16H2,(H2,22,24)
• InChIKey: KSNLQHNXBPIDNQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethoxy]acetamide
• IUPAC传统名: 2-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethoxy]acetamide
• 别名: 2-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethoxy]acetamide

理论计算性质

JChem

• Acid pKa: 15.507293
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.7749307
• LogD (pH = 7.4): 1.7749307
• Log P: 1.7749307
• 摩尔折射率: 110.3156 cm^3
• 极化性: 38.871563 Å^3
• 极化表面积: 72.63 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: 3
• 质子供体: 1
• Log P: 2.72
• LOG S: -3.38
• 极化表面积: 72.63 Å^2
• 可自由旋转的化学键: 6