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

• ChemBase ID: 188604
• Molecular Formular: C25H29NO3
• Molecular Mass: 391.50266
• Monoisotopic Mass: 391.21474379
• SMILES: N(C(=O)C)(CCC(c1occc1)c1ccccc1)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CC(Oc1ccc(cc1)CN(C(=O)C)CCC(c1ccco1)c1ccccc1)C
• InChI: InChI=1S/C25H29NO3/c1-19(2)29-23-13-11-21(12-14-23)18-26(20(3)27)16-15-24(25-10-7-17-28-25)22-8-5-4-6-9-22/h4-14,17,19,24H,15-16,18H2,1-3H3
• InChIKey: HGLHSNKQTBUZJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244514
• PubChem CID: 3717710

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6180673
• LogD (pH = 7.4): 4.6180677
• Log P: 4.6180677
• Molar Refractivity: 115.5826 cm^3
• Polarizability: 44.842552 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds