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

• ChemBase ID: 190854
• Molecular Formular: C25H29NO3
• Molecular Mass: 391.50266
• Monoisotopic Mass: 391.21474379
• SMILES: N(C(=O)C)(Cc1occc1)CCC(c1ccc(OC(C)C)cc1)c1ccccc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(c1ccccc1)CCN(C(=O)C)Cc1ccco1)C
• InChI: InChI=1S/C25H29NO3/c1-19(2)29-23-13-11-22(12-14-23)25(21-8-5-4-6-9-21)15-16-26(20(3)27)18-24-10-7-17-28-24/h4-14,17,19,25H,15-16,18H2,1-3H3
• InChIKey: UZNXTLRSJCKVOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246764
• PubChem CID: 3735607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.696021
• LogD (pH = 7.4): 4.6960216
• Log P: 4.6960216
• Molar Refractivity: 115.5056 cm^3
• Polarizability: 44.8431 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