N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl]acetamide

• ChemBase编号: 225462
• 分子式: C18H22N2O6
• 平均质量: 362.37708
• 单一同位素质量: 362.14778643
• SMILES: n1(cc(c(=O)cc1CO)OC)CC(=O)NCc1cc(c(cc1)OC)OC
• Canonical SMILES: OCc1cc(=O)c(cn1CC(=O)NCc1ccc(c(c1)OC)OC)OC
• InChI: InChI=1S/C18H22N2O6/c1-24-15-5-4-12(6-16(15)25-2)8-19-18(23)10-20-9-17(26-3)14(22)7-13(20)11-21/h4-7,9,21H,8,10-11H2,1-3H3,(H,19,23)
• InChIKey: JAMWDRSEXNHFIY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl]acetamide
• IUPAC传统名: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1-yl]acetamide

登记号

• PubChem SID: 164281372
• PubChem CID: 56763659

理论计算性质

• Acid pKa: 14.553267
• 质子受体: 7
• 质子供体: 2
• LogD (pH = 5.5): -0.018187338
• LogD (pH = 7.4): -0.01818731
• Log P: -0.01818728
• 摩尔折射率: 97.335 cm^3
• 极化性: 36.365345 Å^3
• 极化表面积: 97.33 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds