N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase编号: 541978
• 分子式: C16H23N5O4
• 平均质量: 349.38492
• 单一同位素质量: 349.17500424
• SMILES: N1(C(=O)NC(C1=O)(C)C)CC(=O)NCCc1nc(on1)C1CCCC1
• Canonical SMILES: O=C(CN1C(=O)NC(C1=O)(C)C)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C16H23N5O4/c1-16(2)14(23)21(15(24)19-16)9-12(22)17-8-7-11-18-13(25-20-11)10-5-3-4-6-10/h10H,3-9H2,1-2H3,(H,17,22)(H,19,24)
• InChIKey: NGGAGFLXXMXMSY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC传统名: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
• 别名: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

理论计算性质

JChem

• Acid pKa: 10.721629
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.6793899
• LogD (pH = 7.4): 0.67918724
• Log P: 0.6793925
• 摩尔折射率: 88.4342 cm^3
• 极化性: 33.476173 Å^3
• 极化表面积: 117.43 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 2
• Log P: -0.02
• LOG S: -3.04
• 极化表面积: 117.43 Å^2
• 可自由旋转的化学键: 6