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

• ChemBase ID: 567333
• Molecular Formular: C18H25NO3
• Molecular Mass: 303.396
• Monoisotopic Mass: 303.18344367
• SMILES: N1(C(=O)C2CCOCC2)CC(OCC1)CCc1ccccc1
• Canonical SMILES: O=C(C1CCOCC1)N1CCOC(C1)CCc1ccccc1
• InChI: InChI=1S/C18H25NO3/c20-18(16-8-11-21-12-9-16)19-10-13-22-17(14-19)7-6-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2
• InChIKey: ZYOPIAFTIFSGBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1370385
• LogD (pH = 7.4): 2.1370392
• Log P: 2.1370392
• Molar Refractivity: 85.7233 cm^3
• Polarizability: 33.48557 Å^3
• Polar Surface Area: 38.77 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: 1.28
• LOG S: -2.21
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4