2-(2-formyl-4-methoxyphenoxy)-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 279993
• Molecular Formular: C15H15NO5
• Molecular Mass: 289.2833
• Monoisotopic Mass: 289.09502259
• SMILES: c1(c(OCC(=O)NCc2occc2)ccc(c1)OC)C=O
• Canonical SMILES: O=Cc1cc(OC)ccc1OCC(=O)NCc1ccco1
• InChI: InChI=1S/C15H15NO5/c1-19-12-4-5-14(11(7-12)9-17)21-10-15(18)16-8-13-3-2-6-20-13/h2-7,9H,8,10H2,1H3,(H,16,18)
• InChIKey: GHQQKQJUPAOTDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-formyl-4-methoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(2-formyl-4-methoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
• Synonyms: 2-(2-formyl-4-methoxyphenoxy)-N-(2-furylmethyl)acetamide

Database IDs

• MDL Number: MFCD08445168
• PubChem SID: 164335903
• PubChem CID: 16228584

CALCULATED PROPERTIES

• Acid pKa: 12.186378
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0498421
• LogD (pH = 7.4): 1.0498358
• Log P: 1.0498421
• Molar Refractivity: 75.3754 cm^3
• Polarizability: 28.666388 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.618

Product Information

• Purity: 95%