2-amino-N-[4-(benzyloxy)phenyl]acetamide

• ChemBase ID: 4752
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: c1ccccc1COc1ccc(cc1)NC(=O)CN
• Canonical SMILES: NCC(=O)Nc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
• InChIKey: YJPUATSIKWOSST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[4-(benzyloxy)phenyl]acetamide
• IUPAC Traditional name: 2-amino-N-[4-(benzyloxy)phenyl]acetamide
• Synonyms: N-[4-(benzyloxy)phenyl]glycinamide

Database IDs

• PubChem SID: 160968184; 99443570
• PubChem CID: 22690393

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.988667
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5194311
• LogD (pH = 7.4): 1.1749803
• Log P: 1.8536282
• Molar Refractivity: 75.3565 cm^3
• Polarizability: 28.843626 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 1.75
• LOG S: -3.64
• Solubility (Water): 5.83e-02 g/l

DETAILS

DrugBank - DB07099

Drug information: experimental