4-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]butanamide

• ChemBase编号: 227431
• 分子式: C19H22N2O5
• 平均质量: 358.38838
• 单一同位素质量: 358.15287181
• SMILES: c1(=O)n(c(cc(c1)O)C)CCCC(=O)NCC(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)CNC(=O)CCCn1c(C)cc(cc1=O)O
• InChI: InChI=1S/C19H22N2O5/c1-13-10-15(22)11-19(25)21(13)9-3-4-18(24)20-12-17(23)14-5-7-16(26-2)8-6-14/h5-8,10-11,22H,3-4,9,12H2,1-2H3,(H,20,24)
• InChIKey: QHNZVGUCPCDLHS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]butanamide
• IUPAC传统名: 4-(4-hydroxy-2-methyl-6-oxopyridin-1-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]butanamide

登记号

• PubChem SID: 164283341
• PubChem CID: 71754560

理论计算性质

• Acid pKa: 9.084917
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.5384259
• LogD (pH = 7.4): 0.52966154
• Log P: 0.53853893
• 摩尔折射率: 99.2762 cm^3
• 极化性: 36.85716 Å^3
• 极化表面积: 95.94 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