5-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)furan-2-carboxamide

• ChemBase编号: 419664
• 分子式: C19H25NO4
• 平均质量: 331.4061
• 单一同位素质量: 331.17835829
• SMILES: c1(C(=O)N(Cc2ccc(cc2)OC)CC(C)C)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N(Cc1ccc(cc1)OC)CC(C)C
• InChI: InChI=1S/C19H25NO4/c1-14(2)11-20(12-15-5-7-16(23-4)8-6-15)19(21)18-10-9-17(24-18)13-22-3/h5-10,14H,11-13H2,1-4H3
• InChIKey: PUCNILRDGVTZNB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)furan-2-carboxamide
• IUPAC传统名: 5-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)furan-2-carboxamide
• 别名: N-isobutyl-N-(4-methoxybenzyl)-5-(methoxymethyl)-2-furamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.9383678
• LogD (pH = 7.4): 2.9383678
• Log P: 2.9383678
• 摩尔折射率: 93.5853 cm^3
• 极化性: 35.724327 Å^3
• 极化表面积: 51.91 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.12
• LOG S: -4.29
• 极化表面积: 51.91 Å^2
• 可自由旋转的化学键: 8