N-methyl-2-{3-oxa-9-azaspiro[5.5]undecan-9-yl}-2-oxo-N-phenylacetamide

• ChemBase编号: 531772
• 分子式: C18H24N2O3
• 平均质量: 316.39476
• 单一同位素质量: 316.17869264
• SMILES: C(=O)(C(=O)N1CCC2(CC1)CCOCC2)N(c1ccccc1)C
• Canonical SMILES: CN(C(=O)C(=O)N1CCC2(CC1)CCOCC2)c1ccccc1
• InChI: InChI=1S/C18H24N2O3/c1-19(15-5-3-2-4-6-15)16(21)17(22)20-11-7-18(8-12-20)9-13-23-14-10-18/h2-6H,7-14H2,1H3
• InChIKey: HMJSCEQXRUGNEW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-{3-oxa-9-azaspiro[5.5]undecan-9-yl}-2-oxo-N-phenylacetamide
• IUPAC传统名: N-methyl-2-{3-oxa-9-azaspiro[5.5]undecan-9-yl}-2-oxo-N-phenylacetamide
• 别名: N-methyl-2-(3-oxa-9-azaspiro[5.5]undec-9-yl)-2-oxo-N-phenylacetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.2899419
• LogD (pH = 7.4): 1.2899419
• Log P: 1.2899419
• 摩尔折射率: 88.1624 cm^3
• 极化性: 34.072247 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.74
• LOG S: -2.14
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 2