N-(furan-2-ylmethyl)-N-{3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl}propanamide

• ChemBase编号: 190940
• 分子式: C26H31NO3
• 平均质量: 405.52924
• 单一同位素质量: 405.23039386
• SMILES: N(C(=O)CC)(Cc1occc1)CCC(c1ccc(OC(C)C)cc1)c1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C26H31NO3/c1-4-26(28)27(19-24-11-8-18-29-24)17-16-25(21-9-6-5-7-10-21)22-12-14-23(15-13-22)30-20(2)3/h5-15,18,20,25H,4,16-17,19H2,1-3H3
• InChIKey: RTXCJBCDOYBERV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-2-ylmethyl)-N-{3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl}propanamide
• IUPAC传统名: N-(furan-2-ylmethyl)-N-[3-(4-isopropoxyphenyl)-3-phenylpropyl]propanamide

登记号

• PubChem SID: 164246850
• PubChem CID: 3841014

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.396557
• LogD (pH = 7.4): 5.3965573
• Log P: 5.3965573
• 摩尔折射率: 120.1325 cm^3
• 极化性: 46.687534 Å^3
• 极化表面积: 42.68 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