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

• ChemBase ID: 188917
• Molecular Formular: C26H31NO3
• Molecular Mass: 405.52924
• Monoisotopic Mass: 405.23039386
• SMILES: N(C(=O)CC)(CCC(c1occc1)c1ccccc1)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C26H31NO3/c1-4-26(28)27(19-21-12-14-23(15-13-21)30-20(2)3)17-16-24(25-11-8-18-29-25)22-9-6-5-7-10-22/h5-15,18,20,24H,4,16-17,19H2,1-3H3
• InChIKey: QVUDUDMIPMZSFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244827
• PubChem CID: 3746680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.318603
• LogD (pH = 7.4): 5.3186035
• Log P: 5.3186035
• Molar Refractivity: 120.2095 cm^3
• Polarizability: 46.686985 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds