4-[3-(2-benzylmorpholine-4-carbonyl)phenyl]morpholine

• ChemBase ID: 844809
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: N1(C(=O)c2cc(N3CCOCC3)ccc2)CC(OCC1)Cc1ccccc1
• Canonical SMILES: O=C(c1cccc(c1)N1CCOCC1)N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C22H26N2O3/c25-22(19-7-4-8-20(16-19)23-9-12-26-13-10-23)24-11-14-27-21(17-24)15-18-5-2-1-3-6-18/h1-8,16,21H,9-15,17H2
• InChIKey: QEMZSXSCGAMZPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-benzylmorpholine-4-carbonyl)phenyl]morpholine
• IUPAC Traditional name: 4-[3-(2-benzylmorpholine-4-carbonyl)phenyl]morpholine
• Synonyms: 2-benzyl-4-[3-(4-morpholinyl)benzoyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0151803
• LogD (pH = 7.4): 3.0151825
• Log P: 3.0151825
• Molar Refractivity: 106.5452 cm^3
• Polarizability: 40.39208 Å^3
• Polar Surface Area: 42.01 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: 2.99
• LOG S: -3.92
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4