N-(4-{[methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenyl)acetamide

• ChemBase编号: 775473
• 分子式: C19H31N3O
• 平均质量: 317.46894
• 单一同位素质量: 317.24671263
• SMILES: N1C(CC(N(Cc2ccc(NC(=O)C)cc2)C)CC1(C)C)(C)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)CN(C1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C19H31N3O/c1-14(23)20-16-9-7-15(8-10-16)13-22(6)17-11-18(2,3)21-19(4,5)12-17/h7-10,17,21H,11-13H2,1-6H3,(H,20,23)
• InChIKey: MEQOHUISGRFKSH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(4-{[methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenyl)acetamide
• IUPAC传统名: N-(4-{[methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenyl)acetamide
• 别名: N-(4-{[methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.355168
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.518363
• LogD (pH = 7.4): -1.461459
• Log P: 2.1904144
• 摩尔折射率: 97.7341 cm^3
• 极化性: 37.807083 Å^3
• 极化表面积: 44.37 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 2
• Log P: 2.68
• LOG S: -3.81
• 极化表面积: 44.37 Å^2
• 可自由旋转的化学键: 4