N-(1-ethoxy-2-methylpropan-2-yl)-3-[(2-fluorophenyl)formamido]propanamide

• ChemBase ID: 525434
• Molecular Formular: C16H23FN2O3
• Molecular Mass: 310.3638232
• Monoisotopic Mass: 310.16927083
• SMILES: c1(C(=O)NCCC(=O)NC(COCC)(C)C)c(F)cccc1
• Canonical SMILES: CCOCC(NC(=O)CCNC(=O)c1ccccc1F)(C)C
• InChI: InChI=1S/C16H23FN2O3/c1-4-22-11-16(2,3)19-14(20)9-10-18-15(21)12-7-5-6-8-13(12)17/h5-8H,4,9-11H2,1-3H3,(H,18,21)(H,19,20)
• InChIKey: VLBJPLQRQBYIMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethoxy-2-methylpropan-2-yl)-3-[(2-fluorophenyl)formamido]propanamide
• IUPAC Traditional name: N-(1-ethoxy-2-methylpropan-2-yl)-3-[(2-fluorophenyl)formamido]propanamide
• Synonyms: N-{3-[(2-ethoxy-1,1-dimethylethyl)amino]-3-oxopropyl}-2-fluorobenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.242819
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3289777
• LogD (pH = 7.4): 1.3289772
• Log P: 1.3289777
• Molar Refractivity: 82.6015 cm^3
• Polarizability: 31.350344 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.73
• LOG S: -2.94
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8