N-(5-amino-2-methoxyphenyl)-2-(2-tert-butylphenoxy)acetamide

• ChemBase ID: 22903
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: c1(NC(=O)COc2c(C(C)(C)C)cccc2)cc(N)ccc1OC
• Canonical SMILES: COc1ccc(cc1NC(=O)COc1ccccc1C(C)(C)C)N
• InChI: InChI=1S/C19H24N2O3/c1-19(2,3)14-7-5-6-8-16(14)24-12-18(22)21-15-11-13(20)9-10-17(15)23-4/h5-11H,12,20H2,1-4H3,(H,21,22)
• InChIKey: JIXCOCQEVCUGOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-2-(2-tert-butylphenoxy)acetamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-2-(2-tert-butylphenoxy)acetamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-2-[2-(tert-butyl)-phenoxy]acetamide

Database IDs

• MDL Number: MFCD09997223
• PubChem SID: 160986210
• PubChem CID: 28306473

CALCULATED PROPERTIES

• Acid pKa: 11.566092
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.238719
• LogD (pH = 7.4): 3.2856572
• Log P: 3.2863188
• Molar Refractivity: 96.7126 cm^3
• Polarizability: 36.42349 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false