N-[2-(furan-2-yl)ethyl]acetamide

• ChemBase ID: 248138
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: c1(occc1)CCNC(=O)C
• Canonical SMILES: CC(=O)NCCc1ccco1
• InChI: InChI=1S/C8H11NO2/c1-7(10)9-5-4-8-3-2-6-11-8/h2-3,6H,4-5H2,1H3,(H,9,10)
• InChIKey: CFHHYZSJVNNLPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(furan-2-yl)ethyl]acetamide
• Synonyms: N-[2-(furan-2-yl)ethyl]acetamide

Database IDs

• MDL Number: MFCD11727033
• PubChem SID: 164304048
• PubChem CID: 40234725

CALCULATED PROPERTIES

• Acid pKa: 15.069085
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.03806708
• LogD (pH = 7.4): 0.03806723
• Log P: 0.038067237
• Molar Refractivity: 41.2315 cm^3
• Polarizability: 15.782848 Å^3
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.195

Product Information

• Purity: 95%