2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase编号: 448822
• 分子式: C19H22N2O3
• 平均质量: 326.38958
• 单一同位素质量: 326.16304257
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: COc1cccn(c1=O)CC(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C19H22N2O3/c1-20(16-10-5-8-14-7-3-4-9-15(14)16)18(22)13-21-12-6-11-17(24-2)19(21)23/h3-4,6-7,9,11-12,16H,5,8,10,13H2,1-2H3
• InChIKey: HLQSFAXPGYFSNN-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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• IUPAC传统名: 2-(3-methoxy-2-oxopyridin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• 别名: 2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

理论计算性质

JChem

• Acid pKa: 16.244972
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.9381999
• LogD (pH = 7.4): 1.9381999
• Log P: 1.9381999
• 摩尔折射率: 94.1552 cm^3
• 极化性: 35.35751 Å^3
• 极化表面积: 49.85 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: 0
• Log P: 2.01
• LOG S: -3.3
• 极化表面积: 51.54 Å^2
• 可自由旋转的化学键: 4