N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-{3-oxo-2-azaspiro[4.4]nonan-2-yl}acetamide

• ChemBase编号: 741082
• 分子式: C17H26N4O3
• 平均质量: 334.41334
• 单一同位素质量: 334.20049071
• SMILES: N1(C(=O)CC2(C1)CCCC2)CC(=O)N(Cc1nnc(o1)CC)CC
• Canonical SMILES: CCN(C(=O)CN1CC2(CC1=O)CCCC2)Cc1nnc(o1)CC
• InChI: InChI=1S/C17H26N4O3/c1-3-13-18-19-14(24-13)10-20(4-2)16(23)11-21-12-17(9-15(21)22)7-5-6-8-17/h3-12H2,1-2H3
• InChIKey: BZIPWERFJYJCJO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-{3-oxo-2-azaspiro[4.4]nonan-2-yl}acetamide
• IUPAC传统名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-{3-oxo-2-azaspiro[4.4]nonan-2-yl}acetamide
• 别名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-oxo-2-azaspiro[4.4]non-2-yl)acetamide

理论计算性质

JChem

• Log P: -0.10966748
• 摩尔折射率: 89.8057 cm^3
• 极化性: 34.008236 Å^3
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• Acid pKa: 19.395874
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.109667614
• LogD (pH = 7.4): -0.10966748

Provided by Chembridge

• Log P: 1.35
• LOG S: -2.79
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 6
• 质子受体: 5
• 质子供体: 0