2-{4-[(1E)-(hydroxyimino)methyl]-2-methoxyphenoxy}-N-(4-methoxyphenyl)acetamide

• ChemBase ID: 250936
• Molecular Formular: C17H18N2O5
• Molecular Mass: 330.33522
• Monoisotopic Mass: 330.12157169
• SMILES: C(=O)(Nc1ccc(cc1)OC)COc1c(cc(/C=N/O)cc1)OC
• Canonical SMILES: O/N=C/c1ccc(c(c1)OC)OCC(=O)Nc1ccc(cc1)OC
• InChI: InChI=1S/C17H18N2O5/c1-22-14-6-4-13(5-7-14)19-17(20)11-24-15-8-3-12(10-18-21)9-16(15)23-2/h3-10,21H,11H2,1-2H3,(H,19,20)/b18-10+
• InChIKey: MFAVAKPAEKHETJ-VCHYOVAHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[(1E)-(hydroxyimino)methyl]-2-methoxyphenoxy}-N-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-{4-[(1E)-(hydroxyimino)methyl]-2-methoxyphenoxy}-N-(4-methoxyphenyl)acetamide
• Synonyms: 2-{4-[(1E)-(hydroxyimino)methyl]-2-methoxyphenoxy}-N-(4-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD06356478
• PubChem SID: 164306846
• PubChem CID: 6906781

CALCULATED PROPERTIES

• Acid pKa: 8.035054
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.1330376
• LogD (pH = 7.4): 2.0443656
• Log P: 2.1344993
• Molar Refractivity: 90.2152 cm^3
• Polarizability: 33.793274 Å^3
• Polar Surface Area: 89.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.156

Product Information

• Purity: 95%