2-(4-aminophenoxy)-N-(4-methoxyphenyl)acetamide

• ChemBase ID: 37021
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: c1c(ccc(c1)NC(=O)COc1ccc(cc1)N)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)COc1ccc(cc1)N
• InChI: InChI=1S/C15H16N2O3/c1-19-13-8-4-12(5-9-13)17-15(18)10-20-14-6-2-11(16)3-7-14/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: QUOXHNDSSAVKJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenoxy)-N-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-(4-aminophenoxy)-N-(4-methoxyphenyl)acetamide
• Synonyms: 2-(4-Aminophenoxy)-N-(4-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD06662340
• PubChem SID: 161000328
• PubChem CID: 9429885

CALCULATED PROPERTIES

• Acid pKa: 12.709376
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6514754
• LogD (pH = 7.4): 1.7400049
• Log P: 1.7412626
• Molar Refractivity: 78.0467 cm^3
• Polarizability: 29.136536 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false