3-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

• ChemBase编号: 448697
• 分子式: C19H32N4O2
• 平均质量: 348.48298
• 单一同位素质量: 348.25252628
• SMILES: c1(=O)n(c(cc(n1)C)C)CCC(=O)N(C1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: O=C(N(C1CC(C)(C)NC(C1)(C)C)C)CCn1c(C)cc(nc1=O)C
• InChI: InChI=1S/C19H32N4O2/c1-13-10-14(2)23(17(25)20-13)9-8-16(24)22(7)15-11-18(3,4)21-19(5,6)12-15/h10,15,21H,8-9,11-12H2,1-7H3
• InChIKey: JNBJNBBSFUUZET-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• IUPAC传统名: 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• 别名: 3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.8034148
• LogD (pH = 7.4): -2.3665245
• Log P: 0.42888457
• 摩尔折射率: 100.9411 cm^3
• 极化性: 38.69672 Å^3
• 极化表面积: 65.01 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: 4
• 质子供体: 1
• Log P: 1.2
• LOG S: -2.77
• 极化表面积: 67.23 Å^2
• 可自由旋转的化学键: 4