N-[(3,5-dimethoxyphenyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

• ChemBase编号: 590725
• 分子式: C18H25N3O6
• 平均质量: 379.4076
• 单一同位素质量: 379.17433554
• SMILES: N1(C(=O)NCC1=O)CC(=O)N(Cc1cc(cc(c1)OC)OC)C(COC)C
• Canonical SMILES: COCC(N(C(=O)CN1C(=O)CNC1=O)Cc1cc(OC)cc(c1)OC)C
• InChI: InChI=1S/C18H25N3O6/c1-12(11-25-2)20(17(23)10-21-16(22)8-19-18(21)24)9-13-5-14(26-3)7-15(6-13)27-4/h5-7,12H,8-11H2,1-4H3,(H,19,24)
• InChIKey: AJVPVEWSZZILDY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3,5-dimethoxyphenyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
• IUPAC传统名: N-[(3,5-dimethoxyphenyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
• 别名: N-(3,5-dimethoxybenzyl)-2-(2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-1-methylethyl)acetamide

理论计算性质

JChem

• Acid pKa: 11.746445
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): -0.32942173
• LogD (pH = 7.4): -0.3294408
• Log P: -0.32942146
• 摩尔折射率: 96.6443 cm^3
• 极化性: 37.478535 Å^3
• 极化表面积: 97.41 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 1
• Log P: -0.64
• LOG S: -2.73
• 极化表面积: 97.41 Å^2
• 可自由旋转的化学键: 9