N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]acetamide

• ChemBase ID: 197635
• Molecular Formular: C19H25NO2
• Molecular Mass: 299.4073
• Monoisotopic Mass: 299.18852905
• SMILES: N(C(=O)C)(CCC(c1occc1)C(C)C)Cc1ccccc1
• Canonical SMILES: CC(C(c1ccco1)CCN(C(=O)C)Cc1ccccc1)C
• InChI: InChI=1S/C19H25NO2/c1-15(2)18(19-10-7-13-22-19)11-12-20(16(3)21)14-17-8-5-4-6-9-17/h4-10,13,15,18H,11-12,14H2,1-3H3
• InChIKey: QJKUOZKZLNWBHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
• IUPAC Traditional name: N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]acetamide

Database IDs

• PubChem SID: 164253545
• PubChem CID: 3757611

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6001394
• LogD (pH = 7.4): 3.6001396
• Log P: 3.6001396
• Molar Refractivity: 89.0066 cm^3
• Polarizability: 34.571568 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Stereoisomers
• Classification: Derivatives & analogs of Natural Compounds