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

• ChemBase ID: 263503
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(CC(c1ccccc1)N)N(C)C
• Canonical SMILES: NC(c1ccccc1)CC(=O)N(C)C
• InChI: InChI=1S/C11H16N2O/c1-13(2)11(14)8-10(12)9-6-4-3-5-7-9/h3-7,10H,8,12H2,1-2H3
• InChIKey: DMNMWGMDLPLQAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09930168
• PubChem SID: 164319413
• PubChem CID: 24691874

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2833884
• LogD (pH = 7.4): -0.7758192
• Log P: 0.51418686
• Molar Refractivity: 56.6012 cm^3
• Polarizability: 22.272198 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.558

Product Information

• Purity: 95%