N-benzyl-N-(cyclobutylmethyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 774297
• 分子式: C21H26N2O2
• 平均质量: 338.44334
• 单一同位素质量: 338.19942808
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)N(Cc1ccccc1)CC1CCC1
• Canonical SMILES: Cc1cc(C)n(c(=O)c1C(=O)N(Cc1ccccc1)CC1CCC1)C
• InChI: InChI=1S/C21H26N2O2/c1-15-12-16(2)22(3)20(24)19(15)21(25)23(14-18-10-7-11-18)13-17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13-14H2,1-3H3
• InChIKey: HUNATKRPKMGJSZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-N-(cyclobutylmethyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: N-benzyl-N-(cyclobutylmethyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
• 别名: N-benzyl-N-(cyclobutylmethyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.8632426
• LogD (pH = 7.4): 2.8632436
• Log P: 2.8632436
• 摩尔折射率: 101.8886 cm^3
• 极化性: 38.428905 Å^3
• 极化表面积: 40.62 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: 0
• Log P: 3.16
• LOG S: -4.37
• 极化表面积: 42.31 Å^2
• 可自由旋转的化学键: 5