2-(2-formyl-6-methoxyphenoxy)-N-(oxolan-2-ylmethyl)acetamide

• ChemBase ID: 279717
• Molecular Formular: C15H19NO5
• Molecular Mass: 293.31506
• Monoisotopic Mass: 293.12632271
• SMILES: c1(OCC(=O)NCC2OCCC2)c(C=O)cccc1OC
• Canonical SMILES: COc1cccc(c1OCC(=O)NCC1CCCO1)C=O
• InChI: InChI=1S/C15H19NO5/c1-19-13-6-2-4-11(9-17)15(13)21-10-14(18)16-8-12-5-3-7-20-12/h2,4,6,9,12H,3,5,7-8,10H2,1H3,(H,16,18)
• InChIKey: SKRBOMWCCSVMSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-formyl-6-methoxyphenoxy)-N-(oxolan-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(2-formyl-6-methoxyphenoxy)-N-(oxolan-2-ylmethyl)acetamide
• Synonyms: 2-(2-formyl-6-methoxyphenoxy)-N-(tetrahydrofuran-2-ylmethyl)acetamide

Database IDs

• MDL Number: MFCD08444813
• PubChem SID: 164335627
• PubChem CID: 16228249

CALCULATED PROPERTIES

• Acid pKa: 14.554949
• 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: 29.539333 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.059

Product Information

• Purity: 95%