N-(4-aminophenyl)-2-(2,6-dimethylphenoxy)acetamide

• ChemBase ID: 23152
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: c1(OCC(=O)Nc2ccc(N)cc2)c(cccc1C)C
• Canonical SMILES: O=C(Nc1ccc(cc1)N)COc1c(C)cccc1C
• InChI: InChI=1S/C16H18N2O2/c1-11-4-3-5-12(2)16(11)20-10-15(19)18-14-8-6-13(17)7-9-14/h3-9H,10,17H2,1-2H3,(H,18,19)
• InChIKey: ZVYCBRBAZQEZTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-(2,6-dimethylphenoxy)acetamide
• IUPAC Traditional name: N-(4-aminophenyl)-2-(2,6-dimethylphenoxy)acetamide
• Synonyms: N-(4-Aminophenyl)-2-(2,6-dimethylphenoxy)acetamide

Database IDs

• MDL Number: MFCD09735427
• PubChem SID: 160986459
• PubChem CID: 16788658

CALCULATED PROPERTIES

• Acid pKa: 12.791861
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.916769
• LogD (pH = 7.4): 2.9256601
• Log P: 2.9257765
• Molar Refractivity: 81.6659 cm^3
• Polarizability: 30.148438 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false