N-methyl-2-oxo-N,3-diphenyl-1,8-diazaspiro[4.5]decane-8-carboxamide

• ChemBase编号: 337989
• 分子式: C22H25N3O2
• 平均质量: 363.4528
• 单一同位素质量: 363.19467706
• SMILES: C(=O)(N1CCC2(NC(=O)C(C2)c2ccccc2)CC1)N(c1ccccc1)C
• Canonical SMILES: CN(C(=O)N1CCC2(CC1)CC(C(=O)N2)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H25N3O2/c1-24(18-10-6-3-7-11-18)21(27)25-14-12-22(13-15-25)16-19(20(26)23-22)17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H,23,26)
• InChIKey: GLMFUABFWXMCOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-oxo-N,3-diphenyl-1,8-diazaspiro[4.5]decane-8-carboxamide
• IUPAC传统名: N-methyl-2-oxo-N,3-diphenyl-1,8-diazaspiro[4.5]decane-8-carboxamide
• 别名: N-methyl-2-oxo-N,3-diphenyl-1,8-diazaspiro[4.5]decane-8-carboxamide

理论计算性质

JChem

• Acid pKa: 14.176776
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.046415
• LogD (pH = 7.4): 2.046415
• Log P: 2.046415
• 摩尔折射率: 104.787 cm^3
• 极化性: 40.418083 Å^3
• 极化表面积: 52.65 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: 2
• 质子供体: 1
• Log P: 2.25
• LOG S: -3.77
• 极化表面积: 52.65 Å^2
• 可自由旋转的化学键: 2