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

• ChemBase编号: 695504
• 分子式: C14H21N5O4
• 平均质量: 323.34764
• 单一同位素质量: 323.15935418
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1nnc(o1)CC)CC)C)C
• Canonical SMILES: CCN(C(=O)CC1N(C)C(=O)N(C1=O)C)Cc1nnc(o1)CC
• InChI: InChI=1S/C14H21N5O4/c1-5-10-15-16-11(23-10)8-19(6-2)12(20)7-9-13(21)18(4)14(22)17(9)3/h9H,5-8H2,1-4H3
• InChIKey: QKGICHJWBMIUIU-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 14.171408
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.4760187
• LogD (pH = 7.4): -1.4760188
• Log P: -1.4760187
• 摩尔折射率: 81.6658 cm^3
• 极化性: 30.539284 Å^3
• 极化表面积: 99.85 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: 0
• Log P: -1.53
• LOG S: -1.56
• 极化表面积: 99.85 Å^2
• 可自由旋转的化学键: 6