2-amino-N-benzyl-N-methylacetamide

• ChemBase ID: 260927
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(N(Cc1ccccc1)C)CN
• Canonical SMILES: NCC(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C10H14N2O/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8,11H2,1H3
• InChIKey: QWWIKWIQIRVSIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-benzyl-N-methylacetamide
• IUPAC Traditional name: 2-amino-N-benzyl-N-methylacetamide
• Synonyms: 2-amino-N-benzyl-N-methylacetamide

Database IDs

• MDL Number: MFCD09724208
• PubChem SID: 164316837
• PubChem CID: 17932699

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.270493
• LogD (pH = 7.4): -0.58640486
• Log P: 0.21740708
• Molar Refractivity: 52.2316 cm^3
• Polarizability: 20.428307 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.529

Product Information

• Purity: 95%