N-[4-(carbamoylmethyl)phenyl]acetamide

• ChemBase ID: 270730
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: C(=O)(Nc1ccc(CC(=O)N)cc1)C
• Canonical SMILES: NC(=O)Cc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C10H12N2O2/c1-7(13)12-9-4-2-8(3-5-9)6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)
• InChIKey: LYRQZGCDFPVILB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(carbamoylmethyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(carbamoylmethyl)phenyl]acetamide
• Synonyms: N-[4-(carbamoylmethyl)phenyl]acetamide

Database IDs

• MDL Number: MFCD11643476
• PubChem SID: 164326640
• PubChem CID: 25862032

CALCULATED PROPERTIES

• Acid pKa: 14.349662
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.041761853
• LogD (pH = 7.4): 0.041761816
• Log P: 0.04176186
• Molar Refractivity: 54.0508 cm^3
• Polarizability: 20.104792 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.527

Product Information

• Purity: 95%