3-amino-N-methyl-N-phenylpropanamide

• ChemBase ID: 124213
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(N(c1ccccc1)C)CCN
• Canonical SMILES: NCCC(=O)N(c1ccccc1)C
• InChI: InChI=1S/C10H14N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7-8,11H2,1H3
• InChIKey: DVBJRCJZHINEGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-methyl-N-phenylpropanamide
• IUPAC Traditional name: 3-amino-N-methyl-N-phenylpropanamide
• Synonyms: 3-amino-N-methyl-N-phenylpropanamide

Database IDs

• PubChem SID: 162218566
• PubChem CID: 16789981

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5460684
• LogD (pH = 7.4): -1.3230512
• Log P: 0.38790515
• Molar Refractivity: 52.096 cm^3
• Polarizability: 20.41868 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true