N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methylacetamide

• ChemBase编号: 759553
• 分子式: C19H24N2O5
• 平均质量: 360.40426
• 单一同位素质量: 360.16852188
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(Cc1c(c(OC)ccc1)OCC)C
• Canonical SMILES: CCOc1c(cccc1OC)CN(C(=O)Cn1cccc(c1=O)OC)C
• InChI: InChI=1S/C19H24N2O5/c1-5-26-18-14(8-6-9-15(18)24-3)12-20(2)17(22)13-21-11-7-10-16(25-4)19(21)23/h6-11H,5,12-13H2,1-4H3
• InChIKey: FPRWKMSWGUNDAZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methylacetamide
• IUPAC传统名: N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(3-methoxy-2-oxopyridin-1-yl)-N-methylacetamide
• 别名: N-(2-ethoxy-3-methoxybenzyl)-2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-methylacetamide

理论计算性质

JChem

• Acid pKa: 16.277584
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.9908724
• LogD (pH = 7.4): 0.9908724
• Log P: 0.9908724
• 摩尔折射率: 99.6484 cm^3
• 极化性: 37.54463 Å^3
• 极化表面积: 68.31 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: 5
• 质子供体: 0
• Log P: 1.3
• LOG S: -2.94
• 极化表面积: 70.0 Å^2
• 可自由旋转的化学键: 8