N-methyl-2-[(2-methylphenyl)amino]acetamide

• ChemBase ID: 267148
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N(c1c(C)cccc1)CC(=O)NC
• Canonical SMILES: CNC(=O)CNc1ccccc1C
• InChI: InChI=1S/C10H14N2O/c1-8-5-3-4-6-9(8)12-7-10(13)11-2/h3-6,12H,7H2,1-2H3,(H,11,13)
• InChIKey: YTAJVGGWNSAVRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[(2-methylphenyl)amino]acetamide
• IUPAC Traditional name: N-methyl-2-[(2-methylphenyl)amino]acetamide
• Synonyms: N-methyl-2-[(2-methylphenyl)amino]acetamide

Database IDs

• MDL Number: MFCD11154387
• PubChem SID: 164323058
• PubChem CID: 28586000

CALCULATED PROPERTIES

• Acid pKa: 16.146048
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8537528
• LogD (pH = 7.4): 0.8541569
• Log P: 0.8541621
• Molar Refractivity: 54.0965 cm^3
• Polarizability: 19.964024 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): 1.036

Product Information

• Purity: 95%