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

• ChemBase ID: 195427
• Molecular Formular: C28H35NO4
• Molecular Mass: 449.5818
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methoxyphenyl)-4-methylpentyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}furan-2-carboxamide
• IUPAC Traditional name: N-[(4-isopropoxyphenyl)methyl]-N-[3-(4-methoxyphenyl)-4-methylpentyl]furan-2-carboxamide

Database IDs

• PubChem SID: 164251337
• PubChem CID: 5122620

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 5.9903083
• LogD (pH = 7.4): 5.9903083
• Log P: 5.9903083
• Molar Refractivity: 131.6939 cm^3
• Polarizability: 50.826794 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false
• H Acceptors: 3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds