N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]furan-2-carboxamide

• ChemBase编号: 185380
• 分子式: C30H37NO5
• 平均质量: 491.61848
• 单一同位素质量: 491.26717329
• SMILES: C(=O)(N(Cc1cc(c(cc1)OC)OC)CCC(C1CC(OCC1)(C)C)c1ccccc1)c1occc1
• Canonical SMILES: COc1ccc(cc1OC)CN(C(=O)c1ccco1)CCC(C1CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C30H37NO5/c1-30(2)20-24(15-18-36-30)25(23-9-6-5-7-10-23)14-16-31(29(32)27-11-8-17-35-27)21-22-12-13-26(33-3)28(19-22)34-4/h5-13,17,19,24-25H,14-16,18,20-21H2,1-4H3
• InChIKey: LEOCRMFSMDUZLO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]furan-2-carboxamide
• IUPAC传统名: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]furan-2-carboxamide

登记号

• PubChem SID: 164241290
• PubChem CID: 3807782

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.091561
• LogD (pH = 7.4): 5.091561
• Log P: 5.091561
• 摩尔折射率: 141.1328 cm^3
• 极化性: 54.472996 Å^3
• 极化表面积: 61.14 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds