2-(2-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

• ChemBase ID: 312548
• Molecular Formular: C14H17NO4
• Molecular Mass: 263.28908
• Monoisotopic Mass: 263.11575803
• SMILES: C(=O)(NCC1OCCC1)COc1c(C=O)cccc1
• Canonical SMILES: O=Cc1ccccc1OCC(=O)NCC1CCCO1
• InChI: InChI=1S/C14H17NO4/c16-9-11-4-1-2-6-13(11)19-10-14(17)15-8-12-5-3-7-18-12/h1-2,4,6,9,12H,3,5,7-8,10H2,(H,15,17)
• InChIKey: HABFXQKGBYGWBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(2-formylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
• Synonyms: 2-(2-formylphenoxy)-N-(tetrahydro-2-furanylmethyl)acetamide

Database IDs

• CAS Number: 915923-40-9
• MDL Number: MFCD08442978

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8413827
• LogD (pH = 7.4): 0.8413827
• Log P: 0.8413827
• Molar Refractivity: 70.1634 cm^3
• Polarizability: 26.994413 Å^3
• Polar Surface Area: 64.63 Å^2