N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,8-dimethyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase编号: 765002
• 分子式: C20H35N5O
• 平均质量: 361.5248
• 单一同位素质量: 361.28416077
• SMILES: C(=O)(C1N(CC2(C1)CCN(CC2)C)CCC)N(Cc1n(ccn1)CC)C
• Canonical SMILES: CCCN1CC2(CC1C(=O)N(Cc1nccn1CC)C)CCN(CC2)C
• InChI: InChI=1S/C20H35N5O/c1-5-10-25-16-20(7-11-22(3)12-8-20)14-17(25)19(26)23(4)15-18-21-9-13-24(18)6-2/h9,13,17H,5-8,10-12,14-16H2,1-4H3
• InChIKey: FSNDPNLQCCORIL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,8-dimethyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC传统名: N-[(1-ethylimidazol-2-yl)methyl]-N,8-dimethyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• 别名: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,8-dimethyl-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): -5.8281045
• LogD (pH = 7.4): -2.8295672
• Log P: 1.0513773
• 摩尔折射率: 106.1815 cm^3
• 极化性: 41.170036 Å^3
• 极化表面积: 44.61 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.28
• LOG S: -2.93
• 极化表面积: 44.61 Å^2
• 可自由旋转的化学键: 6