N-{2-[3-(morpholin-4-ylmethyl)phenoxy]propyl}furan-2-carboxamide

• ChemBase ID: 629971
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: C(=O)(c1occc1)NCC(Oc1cc(CN2CCOCC2)ccc1)C
• Canonical SMILES: CC(Oc1cccc(c1)CN1CCOCC1)CNC(=O)c1ccco1
• InChI: InChI=1S/C19H24N2O4/c1-15(13-20-19(22)18-6-3-9-24-18)25-17-5-2-4-16(12-17)14-21-7-10-23-11-8-21/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,20,22)
• InChIKey: VMBYOUDSNRRZAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(morpholin-4-ylmethyl)phenoxy]propyl}furan-2-carboxamide
• IUPAC Traditional name: N-{2-[3-(morpholin-4-ylmethyl)phenoxy]propyl}furan-2-carboxamide
• Synonyms: N-{2-[3-(4-morpholinylmethyl)phenoxy]propyl}-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.994371
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7337053
• LogD (pH = 7.4): 1.8234808
• Log P: 1.8913298
• Molar Refractivity: 95.0122 cm^3
• Polarizability: 36.53485 Å^3
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.08
• LOG S: -2.51
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 7