N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 199679
• Molecular Formular: C21H23NO3
• Molecular Mass: 337.41222
• Monoisotopic Mass: 337.1677936
• SMILES: N(C(=O)C)(Cc1occc1)CCC(c1occc1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C(c1ccco1)CCN(C(=O)C)Cc1ccco1
• InChI: InChI=1S/C21H23NO3/c1-16-7-9-18(10-8-16)20(21-6-4-14-25-21)11-12-22(17(2)23)15-19-5-3-13-24-19/h3-10,13-14,20H,11-12,15H2,1-2H3
• InChIKey: GGOKQDCYXSYLEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(furan-2-ylmethyl)acetamide

Database IDs

• PubChem SID: 164255589
• PubChem CID: 2928640

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5760236
• LogD (pH = 7.4): 3.5760238
• Log P: 3.5760238
• Molar Refractivity: 97.3841 cm^3
• Polarizability: 37.25857 Å^3
• Polar Surface Area: 46.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds