2-(4-formyl-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

• ChemBase ID: 229023
• Molecular Formular: C19H21NO4
• Molecular Mass: 327.37434
• Monoisotopic Mass: 327.14705816
• SMILES: c1(NC(=O)COc2c(cc(C=O)cc2)OC)c(cc(cc1C)C)C
• Canonical SMILES: COc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(cc1C)C
• InChI: InChI=1S/C19H21NO4/c1-12-7-13(2)19(14(3)8-12)20-18(22)11-24-16-6-5-15(10-21)9-17(16)23-4/h5-10H,11H2,1-4H3,(H,20,22)
• InChIKey: ZLUVXNGOKGSHCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
• IUPAC Traditional name: 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
• Synonyms: 2-(4-Formyl-2-methoxy-phenoxy)-N-(2,4,6-trimethyl-phenyl)-acetamide

Database IDs

• MDL Number: MFCD03152774
• PubChem SID: 164284933
• PubChem CID: 2223857

CALCULATED PROPERTIES

• Acid pKa: 12.726122
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.822955
• LogD (pH = 7.4): 3.822953
• Log P: 3.822955
• Molar Refractivity: 95.0539 cm^3
• Polarizability: 35.187126 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.263

Product Information

• Purity: 95%