N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}furan-2-carboxamide

• ChemBase编号: 191111
• 分子式: C29H31NO5
• 平均质量: 473.56014
• 单一同位素质量: 473.2202231
• SMILES: C(=O)(N(CCC(c1occc1)c1c(OC)cccc1)Cc1ccc(OC(C)C)cc1)c1occc1
• Canonical SMILES: COc1ccccc1C(c1ccco1)CCN(C(=O)c1ccco1)Cc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C29H31NO5/c1-21(2)35-23-14-12-22(13-15-23)20-30(29(31)28-11-7-19-34-28)17-16-25(27-10-6-18-33-27)24-8-4-5-9-26(24)32-3/h4-15,18-19,21,25H,16-17,20H2,1-3H3
• InChIKey: JQMLTTSBXZDLMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}furan-2-carboxamide
• IUPAC传统名: N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-isopropoxyphenyl)methyl]furan-2-carboxamide

登记号

• PubChem SID: 164247021
• PubChem CID: 2964468

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.3748174
• LogD (pH = 7.4): 5.3748174
• Log P: 5.3748174
• 摩尔折射率: 135.1072 cm^3
• 极化性: 51.755302 Å^3
• 极化表面积: 65.05 Å^2
• 可自由旋转的化学键: 11
• 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