2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide

• ChemBase编号: 719043
• 分子式: C19H20N4O4
• 平均质量: 368.3865
• 单一同位素质量: 368.14845514
• SMILES: N1(C(=O)NCC1=O)CC(=O)N(Cc1ncccc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CN1C(=O)CNC1=O)Cc1ccccn1
• InChI: InChI=1S/C19H20N4O4/c1-27-16-7-5-14(6-8-16)11-22(12-15-4-2-3-9-20-15)18(25)13-23-17(24)10-21-19(23)26/h2-9H,10-13H2,1H3,(H,21,26)
• InChIKey: HCDRDZJWEFDLQA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide
• IUPAC传统名: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide
• 别名: 2-(2,5-dioxo-1-imidazolidinyl)-N-(4-methoxybenzyl)-N-(2-pyridinylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 11.809395
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.02925122
• LogD (pH = 7.4): 0.046678778
• Log P: 0.046922855
• 摩尔折射率: 96.6523 cm^3
• 极化性: 37.37024 Å^3
• 极化表面积: 91.84 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 0.01
• LOG S: -1.9
• 极化表面积: 91.84 Å^2
• 可自由旋转的化学键: 7