5-{[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl}-N,N-dimethylfuran-2-carboxamide

• ChemBase编号: 708153
• 分子式: C20H31N3O4
• 平均质量: 377.47784
• 单一同位素质量: 377.23145649
• SMILES: c1(C(=O)N(C)C)oc(cc1)CN1CCC2(CN(C(=O)C2)CCCOC)CC1
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)Cc1ccc(o1)C(=O)N(C)C
• InChI: InChI=1S/C20H31N3O4/c1-21(2)19(25)17-6-5-16(27-17)14-22-10-7-20(8-11-22)13-18(24)23(15-20)9-4-12-26-3/h5-6H,4,7-15H2,1-3H3
• InChIKey: NAHKQSQSSCLLIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-{[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl}-N,N-dimethylfuran-2-carboxamide
• IUPAC传统名: 5-{[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl}-N,N-dimethylfuran-2-carboxamide
• 别名: 5-{[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]dec-8-yl]methyl}-N,N-dimethyl-2-furamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.5711067
• LogD (pH = 7.4): -0.85561293
• Log P: -0.3541583
• 摩尔折射率: 104.2109 cm^3
• 极化性: 39.65889 Å^3
• 极化表面积: 66.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.14
• LOG S: -3.38
• 极化表面积: 66.23 Å^2
• 可自由旋转的化学键: 7