4-amino-N-benzyl-N-methylbenzamide

• ChemBase ID: 23392
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(N(Cc1ccccc1)C)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)C(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C15H16N2O/c1-17(11-12-5-3-2-4-6-12)15(18)13-7-9-14(16)10-8-13/h2-10H,11,16H2,1H3
• InChIKey: ZYULNQTYVKBFDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-benzyl-N-methylbenzamide
• IUPAC Traditional name: 4-amino-N-benzyl-N-methylbenzamide
• Synonyms: 4-Amino-N-benzyl-N-methylbenzamide

Database IDs

• MDL Number: MFCD09805549
• PubChem SID: 160986699
• PubChem CID: 20115707

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1636786
• LogD (pH = 7.4): 2.1667461
• Log P: 2.1667855
• Molar Refractivity: 74.2428 cm^3
• Polarizability: 27.583754 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false