3-amino-N-benzyl-4-methoxybenzamide

• ChemBase ID: 123531
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(c1cc(c(cc1)OC)N)NCc1ccccc1
• Canonical SMILES: COc1ccc(cc1N)C(=O)NCc1ccccc1
• InChI: InChI=1S/C15H16N2O2/c1-19-14-8-7-12(9-13(14)16)15(18)17-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: NDZQKPWDWKNNIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-benzyl-4-methoxybenzamide
• IUPAC Traditional name: 3-amino-N-benzyl-4-methoxybenzamide
• Synonyms: 3-amino-N-benzyl-4-methoxybenzamide

Database IDs

• PubChem SID: 162217884
• PubChem CID: 20112312

CALCULATED PROPERTIES

• Acid pKa: 15.188498
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7830095
• LogD (pH = 7.4): 1.7854074
• Log P: 1.7854381
• Molar Refractivity: 75.8093 cm^3
• Polarizability: 28.249737 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true