N-[4-(furan-2-yl)butan-2-yl]-2-(morpholin-4-yl)benzamide

• ChemBase ID: 864890
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: c1(C(=O)NC(CCc2occc2)C)c(N2CCOCC2)cccc1
• Canonical SMILES: CC(NC(=O)c1ccccc1N1CCOCC1)CCc1ccco1
• InChI: InChI=1S/C19H24N2O3/c1-15(8-9-16-5-4-12-24-16)20-19(22)17-6-2-3-7-18(17)21-10-13-23-14-11-21/h2-7,12,15H,8-11,13-14H2,1H3,(H,20,22)
• InChIKey: AGAHSXVWMFVVNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)butan-2-yl]-2-(morpholin-4-yl)benzamide
• IUPAC Traditional name: N-[4-(furan-2-yl)butan-2-yl]-2-(morpholin-4-yl)benzamide
• Synonyms: N-[3-(2-furyl)-1-methylpropyl]-2-morpholin-4-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.406703
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7157223
• LogD (pH = 7.4): 2.7157228
• Log P: 2.7157228
• Molar Refractivity: 94.4685 cm^3
• Polarizability: 35.457253 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.84
• LOG S: -4.02
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 6