N-[4-(furan-2-yl)butan-2-yl]-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 488780
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: N1(OCCCC1)CCC(=O)NC(CCc1occc1)C
• Canonical SMILES: CC(NC(=O)CCN1CCCCO1)CCc1ccco1
• InChI: InChI=1S/C15H24N2O3/c1-13(6-7-14-5-4-11-19-14)16-15(18)8-10-17-9-2-3-12-20-17/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,16,18)
• InChIKey: ZUPYBYDREKVPQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)butan-2-yl]-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-[4-(furan-2-yl)butan-2-yl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-[3-(2-furyl)-1-methylpropyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.375077
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.118772
• LogD (pH = 7.4): 1.119371
• Log P: 1.1193787
• Molar Refractivity: 76.9165 cm^3
• Polarizability: 30.157717 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.13
• LOG S: -3.07
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 7