N-(2,2-dimethyloxan-4-yl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

• ChemBase编号: 198308
• 分子式: C20H25NO4
• 平均质量: 343.4168
• 单一同位素质量: 343.17835829
• SMILES: C(=O)(N(C1CC(OCC1)(C)C)Cc1ccc(cc1)OC)c1occc1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1ccco1)C1CCOC(C1)(C)C
• InChI: InChI=1S/C20H25NO4/c1-20(2)13-16(10-12-25-20)21(19(22)18-5-4-11-24-18)14-15-6-8-17(23-3)9-7-15/h4-9,11,16H,10,12-14H2,1-3H3
• InChIKey: RCKWQXPTWCDSSO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,2-dimethyloxan-4-yl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• IUPAC传统名: N-(2,2-dimethyloxan-4-yl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

登记号

• PubChem SID: 164254218
• PubChem CID: 3574394

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.5566244
• LogD (pH = 7.4): 2.5566244
• Log P: 2.5566244
• 摩尔折射率: 95.929 cm^3
• 极化性: 36.843937 Å^3
• 极化表面积: 51.91 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds