2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methyl-N-[1-(naphthalen-2-yl)ethyl]acetamide

• ChemBase编号: 673609
• 分子式: C21H22N2O3
• 平均质量: 350.41098
• 单一同位素质量: 350.16304257
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(C(c1cc2c(cc1)cccc2)C)C
• Canonical SMILES: COc1cccn(c1=O)CC(=O)N(C(c1ccc2c(c1)cccc2)C)C
• InChI: InChI=1S/C21H22N2O3/c1-15(17-11-10-16-7-4-5-8-18(16)13-17)22(2)20(24)14-23-12-6-9-19(26-3)21(23)25/h4-13,15H,14H2,1-3H3
• InChIKey: ZLVZDPQAMIAETD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methyl-N-[1-(naphthalen-2-yl)ethyl]acetamide
• IUPAC传统名: 2-(3-methoxy-2-oxopyridin-1-yl)-N-methyl-N-[1-(naphthalen-2-yl)ethyl]acetamide
• 别名: 2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-methyl-N-[1-(2-naphthyl)ethyl]acetamide

理论计算性质

JChem

• Acid pKa: 16.24785
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.3554587
• LogD (pH = 7.4): 2.3554587
• Log P: 2.3554587
• 摩尔折射率: 102.8424 cm^3
• 极化性: 39.99238 Å^3
• 极化表面积: 49.85 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: 3
• 质子供体: 0
• Log P: 2.61
• LOG S: -3.98
• 极化表面积: 51.54 Å^2
• 可自由旋转的化学键: 5