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

• ChemBase ID: 188965
• Molecular Formular: C28H29NO4
• Molecular Mass: 443.53416
• Monoisotopic Mass: 443.20965841
• SMILES: C(=O)(N(CCC(c1occc1)c1ccccc1)Cc1ccc(OC(C)C)cc1)c1occc1
• Canonical SMILES: CC(Oc1ccc(cc1)CN(C(=O)c1ccco1)CCC(c1ccco1)c1ccccc1)C
• InChI: InChI=1S/C28H29NO4/c1-21(2)33-24-14-12-22(13-15-24)20-29(28(30)27-11-7-19-32-27)17-16-25(26-10-6-18-31-26)23-8-4-3-5-9-23/h3-15,18-19,21,25H,16-17,20H2,1-2H3
• InChIKey: QUVNBOQYZIQOSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244875
• PubChem CID: 2929598

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.532489
• LogD (pH = 7.4): 5.532489
• Log P: 5.532489
• Molar Refractivity: 128.644 cm^3
• Polarizability: 49.23863 Å^3
• Polar Surface Area: 55.82 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds