2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-(2-phenylethyl)-N-propylacetamide

• ChemBase编号: 764038
• 分子式: C19H24N2O3
• 平均质量: 328.40546
• 单一同位素质量: 328.17869264
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(CCc1ccccc1)CCC
• Canonical SMILES: CCCN(C(=O)Cn1cccc(c1=O)OC)CCc1ccccc1
• InChI: InChI=1S/C19H24N2O3/c1-3-12-20(14-11-16-8-5-4-6-9-16)18(22)15-21-13-7-10-17(24-2)19(21)23/h4-10,13H,3,11-12,14-15H2,1-2H3
• InChIKey: ZDKFWNKFBNSWRZ-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-(2-phenylethyl)-N-propylacetamide
• IUPAC传统名: 2-(3-methoxy-2-oxopyridin-1-yl)-N-(2-phenylethyl)-N-propylacetamide
• 别名: 2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-(2-phenylethyl)-N-propylacetamide

理论计算性质

JChem

• Acid pKa: 16.288652
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.1173985
• LogD (pH = 7.4): 2.1173985
• Log P: 2.1173985
• 摩尔折射率: 96.001 cm^3
• 极化性: 36.164616 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.42
• LOG S: -3.66
• 极化表面积: 51.54 Å^2
• 可自由旋转的化学键: 8