N-{2-[4-(furan-2-ylmethyl)morpholin-2-yl]ethyl}-3-hydroxybenzamide

• ChemBase ID: 668133
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: N1(Cc2occc2)CC(OCC1)CCNC(=O)c1cc(O)ccc1
• Canonical SMILES: Oc1cccc(c1)C(=O)NCCC1OCCN(C1)Cc1ccco1
• InChI: InChI=1S/C18H22N2O4/c21-15-4-1-3-14(11-15)18(22)19-7-6-17-13-20(8-10-24-17)12-16-5-2-9-23-16/h1-5,9,11,17,21H,6-8,10,12-13H2,(H,19,22)
• InChIKey: ALLSBODVQNOWSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(furan-2-ylmethyl)morpholin-2-yl]ethyl}-3-hydroxybenzamide
• IUPAC Traditional name: N-{2-[4-(furan-2-ylmethyl)morpholin-2-yl]ethyl}-3-hydroxybenzamide
• Synonyms: N-{2-[4-(2-furylmethyl)morpholin-2-yl]ethyl}-3-hydroxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.82774
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.35286918
• LogD (pH = 7.4): 1.3740414
• Log P: 1.4485875
• Molar Refractivity: 90.6467 cm^3
• Polarizability: 34.620853 Å^3
• Polar Surface Area: 74.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.05
• LOG S: -1.93
• Polar Surface Area: 74.94 Å^2
• Rotatable Bonds: 6