5-methoxy-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)furan-2-carboxamide

• ChemBase编号: 736012
• 分子式: C16H26N2O4
• 平均质量: 310.38864
• 单一同位素质量: 310.18925732
• SMILES: c1(C(=O)N(C2CCN(CC2)C)CCCOC)oc(cc1)OC
• Canonical SMILES: COCCCN(C(=O)c1ccc(o1)OC)C1CCN(CC1)C
• InChI: InChI=1S/C16H26N2O4/c1-17-10-7-13(8-11-17)18(9-4-12-20-2)16(19)14-5-6-15(21-3)22-14/h5-6,13H,4,7-12H2,1-3H3
• InChIKey: CLTGXWNLUHJHMD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
• IUPAC传统名: 5-methoxy-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
• 别名: 5-methoxy-N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)-2-furamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.4583683
• LogD (pH = 7.4): -0.69002014
• Log P: 0.30289498
• 摩尔折射率: 84.3972 cm^3
• 极化性: 32.49415 Å^3
• 极化表面积: 55.15 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: 1.94
• LOG S: -3.12
• 极化表面积: 55.15 Å^2
• 可自由旋转的化学键: 7