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

• ChemBase ID: 279891
• Molecular Formular: C15H19NO5
• Molecular Mass: 293.31506
• Monoisotopic Mass: 293.12632271
• SMILES: c1(c(OCC(=O)NCC2OCCC2)ccc(c1)OC)C=O
• Canonical SMILES: O=Cc1cc(OC)ccc1OCC(=O)NCC1CCCO1
• InChI: InChI=1S/C15H19NO5/c1-19-12-4-5-14(11(7-12)9-17)21-10-15(18)16-8-13-3-2-6-20-13/h4-5,7,9,13H,2-3,6,8,10H2,1H3,(H,16,18)
• InChIKey: AXIPLJWVAKOFLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08445037
• PubChem SID: 164335801
• PubChem CID: 16228459

CALCULATED PROPERTIES

• Acid pKa: 14.534783
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6837114
• LogD (pH = 7.4): 0.6837114
• Log P: 0.6837114
• Molar Refractivity: 76.6266 cm^3
• Polarizability: 29.537014 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.409

Product Information

• Purity: 95%