dimethyl(2-{[5-(morpholine-4-carbonyl)furan-2-yl]oxy}hex-5-en-1-yl)amine

• ChemBase ID: 715729
• Molecular Formular: C17H26N2O4
• Molecular Mass: 322.39934
• Monoisotopic Mass: 322.18925732
• SMILES: c1(C(=O)N2CCOCC2)oc(cc1)OC(CN(C)C)CCC=C
• Canonical SMILES: C=CCCC(Oc1ccc(o1)C(=O)N1CCOCC1)CN(C)C
• InChI: InChI=1S/C17H26N2O4/c1-4-5-6-14(13-18(2)3)22-16-8-7-15(23-16)17(20)19-9-11-21-12-10-19/h4,7-8,14H,1,5-6,9-13H2,2-3H3
• InChIKey: QSBFRTMWMSKHKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{[5-(morpholine-4-carbonyl)furan-2-yl]oxy}hex-5-en-1-yl)amine
• IUPAC Traditional name: dimethyl(2-{[5-(morpholine-4-carbonyl)furan-2-yl]oxy}hex-5-en-1-yl)amine
• Synonyms: N,N-dimethyl-2-{[5-(morpholin-4-ylcarbonyl)-2-furyl]oxy}hex-5-en-1-amine

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4754411
• LogD (pH = 7.4): 0.21267667
• Log P: 1.5874954
• Molar Refractivity: 88.3197 cm^3
• Polarizability: 34.08255 Å^3
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 8

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.01
• LOG S: -3.27
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 8