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

• ChemBase ID: 190940
• Molecular Formular: C26H31NO3
• Molecular Mass: 405.52924
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246850
• PubChem CID: 3841014

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.396557
• LogD (pH = 7.4): 5.3965573
• Log P: 5.3965573
• Molar Refractivity: 120.1325 cm^3
• Polarizability: 46.687534 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