N,8-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase编号: 737507
• 分子式: C20H32N4O
• 平均质量: 344.49428
• 单一同位素质量: 344.25761166
• SMILES: C(=O)(C1N(CC2(C1)CCN(CC2)C)CCC)N(Cc1ncccc1)C
• Canonical SMILES: CCCN1CC2(CC1C(=O)N(Cc1ccccn1)C)CCN(CC2)C
• InChI: InChI=1S/C20H32N4O/c1-4-11-24-16-20(8-12-22(2)13-9-20)14-18(24)19(25)23(3)15-17-7-5-6-10-21-17/h5-7,10,18H,4,8-9,11-16H2,1-3H3
• InChIKey: QWZKODCYGDQQQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,8-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC传统名: N,8-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• 别名: N,8-dimethyl-2-propyl-N-(2-pyridinylmethyl)-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): -5.112949
• LogD (pH = 7.4): -2.495484
• Log P: 1.3799963
• 摩尔折射率: 101.5753 cm^3
• 极化性: 39.8601 Å^3
• 极化表面积: 39.68 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: 4
• 质子供体: 0
• Log P: 1.12
• LOG S: -1.37
• 极化表面积: 39.68 Å^2
• 可自由旋转的化学键: 5