2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide

• ChemBase编号: 838566
• 分子式: C12H15N3O4
• 平均质量: 265.2652
• 单一同位素质量: 265.10625598
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCCc1oc(cc1)C
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCCc1ccc(o1)C
• InChI: InChI=1S/C12H15N3O4/c1-7-2-3-8(19-7)4-5-13-10(16)6-9-11(17)15-12(18)14-9/h2-3,9H,4-6H2,1H3,(H,13,16)(H2,14,15,17,18)
• InChIKey: VENZVRIVNJWQCT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
• IUPAC传统名: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
• 别名: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methyl-2-furyl)ethyl]acetamide

理论计算性质

JChem

• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• Acid pKa: 9.618709
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -1.0623266
• LogD (pH = 7.4): -1.0648807
• Log P: -1.0622939
• 摩尔折射率: 65.3129 cm^3
• 极化性: 24.893925 Å^3
• 极化表面积: 100.44 Å^2

Provided by Chembridge

• 可自由旋转的化学键: 5
• 质子受体: 4
• 质子供体: 3
• Log P: -0.79
• LOG S: -1.77
• 极化表面积: 100.44 Å^2