N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-(2-oxoazonan-1-yl)acetamide

• ChemBase ID: 740412
• Molecular Formular: C20H29FN2O3
• Molecular Mass: 364.4542632
• Monoisotopic Mass: 364.21622102
• SMILES: N1(C(=O)CCCCCCC1)CC(=O)N(Cc1ccc(F)cc1)CCOC
• Canonical SMILES: COCCN(C(=O)CN1CCCCCCCC1=O)Cc1ccc(cc1)F
• InChI: InChI=1S/C20H29FN2O3/c1-26-14-13-23(15-17-8-10-18(21)11-9-17)20(25)16-22-12-6-4-2-3-5-7-19(22)24/h8-11H,2-7,12-16H2,1H3
• InChIKey: QVPOLZUDKRDZTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-(2-oxoazonan-1-yl)acetamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-(2-oxoazonan-1-yl)acetamide
• Synonyms: N-(4-fluorobenzyl)-N-(2-methoxyethyl)-2-(2-oxoazonan-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.408901
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3609338
• LogD (pH = 7.4): 2.3609338
• Log P: 2.3609338
• Molar Refractivity: 99.1313 cm^3
• Polarizability: 38.17022 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.28
• LOG S: -4.66
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7