4-(furan-2-carbonyl)-2-(2-phenylethyl)morpholine

• ChemBase ID: 630002
• Molecular Formular: C17H19NO3
• Molecular Mass: 285.33766
• Monoisotopic Mass: 285.13649347
• SMILES: N1(C(=O)c2occc2)CC(OCC1)CCc1ccccc1
• Canonical SMILES: O=C(c1ccco1)N1CCOC(C1)CCc1ccccc1
• InChI: InChI=1S/C17H19NO3/c19-17(16-7-4-11-21-16)18-10-12-20-15(13-18)9-8-14-5-2-1-3-6-14/h1-7,11,15H,8-10,12-13H2
• InChIKey: CEBCQQRESUJRAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(furan-2-carbonyl)-2-(2-phenylethyl)morpholine
• IUPAC Traditional name: 4-(furan-2-carbonyl)-2-(2-phenylethyl)morpholine
• Synonyms: 4-(2-furoyl)-2-(2-phenylethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6304545
• LogD (pH = 7.4): 2.6304545
• Log P: 2.6304545
• Molar Refractivity: 80.034 cm^3
• Polarizability: 30.566381 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.41
• LOG S: -3.51
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 4