3-amino-4-methoxy-N-methyl-N-phenylbenzamide

• ChemBase ID: 123614
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(N(c1ccccc1)C)c1cc(c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1N)C(=O)N(c1ccccc1)C
• InChI: InChI=1S/C15H16N2O2/c1-17(12-6-4-3-5-7-12)15(18)11-8-9-14(19-2)13(16)10-11/h3-10H,16H2,1-2H3
• InChIKey: PXGFSOBDVUJDJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-methoxy-N-methyl-N-phenylbenzamide
• IUPAC Traditional name: 3-amino-4-methoxy-N-methyl-N-phenylbenzamide
• Synonyms: 3-amino-4-methoxy-N-methyl-N-phenylbenzamide

Database IDs

• PubChem SID: 162217967
• PubChem CID: 16775932

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9407282
• LogD (pH = 7.4): 1.9425758
• Log P: 1.9425994
• Molar Refractivity: 75.871 cm^3
• Polarizability: 28.43426 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true