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

• ChemBase ID: 191571
• Molecular Formular: C23H25NO3
• Molecular Mass: 363.4495
• Monoisotopic Mass: 363.18344367
• SMILES: C(CC(=O)NCc1occc1)(c1ccc(OC(C)C)cc1)c1ccccc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(c1ccccc1)CC(=O)NCc1ccco1)C
• InChI: InChI=1S/C23H25NO3/c1-17(2)27-20-12-10-19(11-13-20)22(18-7-4-3-5-8-18)15-23(25)24-16-21-9-6-14-26-21/h3-14,17,22H,15-16H2,1-2H3,(H,24,25)
• InChIKey: YTBXGOJFBKCNJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247481
• PubChem CID: 2964479

CALCULATED PROPERTIES

• Acid pKa: 13.669089
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2935505
• LogD (pH = 7.4): 4.2935505
• Log P: 4.293551
• Molar Refractivity: 105.9632 cm^3
• Polarizability: 41.154785 Å^3
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds