N-tert-butyl-2-(4-formyl-2-methoxyphenoxy)acetamide

• ChemBase ID: 279897
• Molecular Formular: C14H19NO4
• Molecular Mass: 265.30496
• Monoisotopic Mass: 265.13140809
• SMILES: C(=O)(NC(C)(C)C)COc1c(cc(C=O)cc1)OC
• Canonical SMILES: COc1cc(C=O)ccc1OCC(=O)NC(C)(C)C
• InChI: InChI=1S/C14H19NO4/c1-14(2,3)15-13(17)9-19-11-6-5-10(8-16)7-12(11)18-4/h5-8H,9H2,1-4H3,(H,15,17)
• InChIKey: TZYUIENTPCLQLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-(4-formyl-2-methoxyphenoxy)acetamide
• IUPAC Traditional name: N-tert-butyl-2-(4-formyl-2-methoxyphenoxy)acetamide
• Synonyms: N-(tert-butyl)-2-(4-formyl-2-methoxyphenoxy)acetamide

Database IDs

• MDL Number: MFCD06635094
• PubChem SID: 164335807
• PubChem CID: 2991213

CALCULATED PROPERTIES

• Acid pKa: 14.552443
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.319082
• LogD (pH = 7.4): 1.319082
• Log P: 1.319082
• Molar Refractivity: 72.1775 cm^3
• Polarizability: 27.696144 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.448

Product Information

• Purity: 95%