2-benzyl-4-(oxane-4-carbonyl)morpholine

• ChemBase ID: 362463
• Molecular Formular: C17H23NO3
• Molecular Mass: 289.36942
• Monoisotopic Mass: 289.1677936
• SMILES: N1(C(=O)C2CCOCC2)CC(OCC1)Cc1ccccc1
• Canonical SMILES: O=C(C1CCOCC1)N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C17H23NO3/c19-17(15-6-9-20-10-7-15)18-8-11-21-16(13-18)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
• InChIKey: FYACQQRQKUXZSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-4-(oxane-4-carbonyl)morpholine
• IUPAC Traditional name: 2-benzyl-4-(oxane-4-carbonyl)morpholine
• Synonyms: 2-benzyl-4-(tetrahydro-2H-pyran-4-ylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6924698
• LogD (pH = 7.4): 1.6924706
• Log P: 1.6924706
• Molar Refractivity: 81.1223 cm^3
• Polarizability: 31.72025 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.91
• LOG S: -1.84
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3