N,8-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase编号: 708037
• 分子式: C19H32N4O2
• 平均质量: 348.48298
• 单一同位素质量: 348.25252628
• SMILES: C(=O)(C1N(CC2(C1)CCN(CC2)C)CCC)N(Cc1onc(c1)C)C
• Canonical SMILES: CCCN1CC2(CC1C(=O)N(Cc1onc(c1)C)C)CCN(CC2)C
• InChI: InChI=1S/C19H32N4O2/c1-5-8-23-14-19(6-9-21(3)10-7-19)12-17(23)18(24)22(4)13-16-11-15(2)20-25-16/h11,17H,5-10,12-14H2,1-4H3
• InChIKey: CXUPQGACBUYMEM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,8-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC传统名: N,8-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• 别名: N,8-dimethyl-N-[(3-methyl-5-isoxazolyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -5.349659
• LogD (pH = 7.4): -2.6861167
• Log P: 0.9321136
• 摩尔折射率: 100.1654 cm^3
• 极化性: 38.499535 Å^3
• 极化表面积: 52.82 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.93
• LOG S: -2.54
• 极化表面积: 52.82 Å^2
• 可自由旋转的化学键: 5