dimethyl({5-[2-(2-phenylethyl)morpholine-4-carbonyl]furan-2-yl}methyl)amine

• ChemBase ID: 713620
• Molecular Formular: C20H26N2O3
• Molecular Mass: 342.43204
• Monoisotopic Mass: 342.1943427
• SMILES: c1(C(=O)N2CC(OCC2)CCc2ccccc2)oc(cc1)CN(C)C
• Canonical SMILES: CN(Cc1ccc(o1)C(=O)N1CCOC(C1)CCc1ccccc1)C
• InChI: InChI=1S/C20H26N2O3/c1-21(2)14-18-10-11-19(25-18)20(23)22-12-13-24-17(15-22)9-8-16-6-4-3-5-7-16/h3-7,10-11,17H,8-9,12-15H2,1-2H3
• InChIKey: WUOTZIAVXRMSRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({5-[2-(2-phenylethyl)morpholine-4-carbonyl]furan-2-yl}methyl)amine
• IUPAC Traditional name: dimethyl({5-[2-(2-phenylethyl)morpholine-4-carbonyl]furan-2-yl}methyl)amine
• Synonyms: N,N-dimethyl-1-(5-{[2-(2-phenylethyl)-4-morpholinyl]carbonyl}-2-furyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.43994364
• LogD (pH = 7.4): 2.1014767
• Log P: 2.4918523
• Molar Refractivity: 98.4542 cm^3
• Polarizability: 37.6102 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.25
• LOG S: -2.87
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 5