4-ethyl-9-(2-phenylpropyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase ID: 207065
• Molecular Formular: C22H23NO3
• Molecular Mass: 349.42292
• Monoisotopic Mass: 349.1677936
• SMILES: c12c3c(OCN(C3)CC(c3ccccc3)C)ccc1c(cc(=O)o2)CC
• Canonical SMILES: CCc1cc(=O)oc2c1ccc1c2CN(CO1)CC(c1ccccc1)C
• InChI: InChI=1S/C22H23NO3/c1-3-16-11-21(24)26-22-18(16)9-10-20-19(22)13-23(14-25-20)12-15(2)17-7-5-4-6-8-17/h4-11,15H,3,12-14H2,1-2H3
• InChIKey: ILPSLAONNXJLLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-9-(2-phenylpropyl)-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC Traditional name: 4-ethyl-9-(2-phenylpropyl)-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

Database IDs

• PubChem SID: 164262975
• PubChem CID: 3777102

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.127772
• LogD (pH = 7.4): 4.616061
• Log P: 4.6277313
• Molar Refractivity: 102.1172 cm^3
• Polarizability: 39.580067 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds