2-amino-N,N-dimethyl-3-phenylpropanamide

• ChemBase ID: 272763
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(C(Cc1ccccc1)N)N(C)C
• Canonical SMILES: NC(C(=O)N(C)C)Cc1ccccc1
• InChI: InChI=1S/C11H16N2O/c1-13(2)11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,8,12H2,1-2H3
• InChIKey: BXCGVAOWUFKCRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethyl-3-phenylpropanamide
• IUPAC Traditional name: 2-amino-N,N-dimethyl-3-phenylpropanamide
• Synonyms: 2-amino-N,N-dimethyl-3-phenylpropanamide

Database IDs

• MDL Number: MFCD09937795
• PubChem SID: 164328673
• PubChem CID: 12653777

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6740122
• LogD (pH = 7.4): 0.019955382
• Log P: 0.71802455
• Molar Refractivity: 56.7319 cm^3
• Polarizability: 22.27462 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.552

Product Information

• Purity: 95%