2-amino-N-methyl-N-phenylacetamide

• ChemBase ID: 124017
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: N(C(=O)CN)(c1ccccc1)C
• Canonical SMILES: NCC(=O)N(c1ccccc1)C
• InChI: InChI=1S/C9H12N2O/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7,10H2,1H3
• InChIKey: RXBFSGCVJMHEIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-N-phenylacetamide
• IUPAC Traditional name: 2-amino-N-methyl-N-phenylacetamide
• Synonyms: 2-amino-N-methyl-N-phenylacetamide

Database IDs

• PubChem SID: 162218370
• PubChem CID: 11768899

CALCULATED PROPERTIES

• Acid pKa: 17.74777
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2167435
• LogD (pH = 7.4): -0.5222835
• Log P: 0.1508924
• Molar Refractivity: 47.3966 cm^3
• Polarizability: 18.574772 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true