3-(furan-2-yl)-N-(4-methoxyphenyl)-4-methylpentanamide

• ChemBase ID: 196159
• Molecular Formular: C17H21NO3
• Molecular Mass: 287.35354
• Monoisotopic Mass: 287.15214354
• SMILES: c1(C(CC(=O)Nc2ccc(cc2)OC)C(C)C)occc1
• Canonical SMILES: COc1ccc(cc1)NC(=O)CC(c1ccco1)C(C)C
• InChI: InChI=1S/C17H21NO3/c1-12(2)15(16-5-4-10-21-16)11-17(19)18-13-6-8-14(20-3)9-7-13/h4-10,12,15H,11H2,1-3H3,(H,18,19)
• InChIKey: QKTDJTAYGKMVDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)-N-(4-methoxyphenyl)-4-methylpentanamide
• IUPAC Traditional name: 3-(furan-2-yl)-N-(4-methoxyphenyl)-4-methylpentanamide

Database IDs

• PubChem SID: 164252069
• PubChem CID: 5093729

CALCULATED PROPERTIES

• Acid pKa: 14.75217
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3330932
• LogD (pH = 7.4): 3.3330932
• Log P: 3.3330932
• Molar Refractivity: 82.8732 cm^3
• Polarizability: 31.546326 Å^3
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds