N,N-dimethyl-2-(phenylamino)acetamide

• ChemBase ID: 285333
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(N(C)C)CNc1ccccc1
• Canonical SMILES: CN(C(=O)CNc1ccccc1)C
• InChI: InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
• InChIKey: MLCBUWNEWJFXJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(phenylamino)acetamide
• IUPAC Traditional name: N,N-dimethyl-2-(phenylamino)acetamide
• Synonyms: N,N-dimethyl-2-(phenylamino)acetamide

Database IDs

• MDL Number: MFCD01733368
• PubChem SID: 180670864
• PubChem CID: 203398

CALCULATED PROPERTIES

• Acid pKa: 17.334045
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5639023
• LogD (pH = 7.4): 0.56441027
• Log P: 0.56441677
• Molar Refractivity: 53.952 cm^3
• Polarizability: 20.04165 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 0.966

Product Information

• Purity: 95%