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

• ChemBase编号: 195427
• 分子式: C28H35NO4
• 平均质量: 449.5818
• 单一同位素质量: 449.25660861
• SMILES: C(=O)(N(CCC(c1ccc(cc1)OC)C(C)C)Cc1ccc(OC(C)C)cc1)c1occc1
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)CCN(C(=O)c1ccco1)Cc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C28H35NO4/c1-20(2)26(23-10-14-24(31-5)15-11-23)16-17-29(28(30)27-7-6-18-32-27)19-22-8-12-25(13-9-22)33-21(3)4/h6-15,18,20-21,26H,16-17,19H2,1-5H3
• InChIKey: JZCXIACENTUZDI-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164251337
• PubChem CID: 5122620

理论计算性质

• 质子供体: 0
• LogD (pH = 5.5): 5.9903083
• LogD (pH = 7.4): 5.9903083
• Log P: 5.9903083
• 摩尔折射率: 131.6939 cm^3
• 极化性: 50.826794 Å^3
• 极化表面积: 51.91 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false
• 质子受体: 3

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds