N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(1H-pyrazol-1-yl)acetamide

• ChemBase ID: 516356
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: C(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)Cn1nccc1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc(cc1)OCC1CCC1)Cn1cccn1
• InChI: InChI=1S/C20H25N3O2/c24-20(14-22-12-2-11-21-22)23(18-7-8-18)13-16-5-9-19(10-6-16)25-15-17-3-1-4-17/h2,5-6,9-12,17-18H,1,3-4,7-8,13-15H2
• InChIKey: CALFAWCVZAYREG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(pyrazol-1-yl)acetamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2-(1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7768986
• LogD (pH = 7.4): 2.7770097
• Log P: 2.777011
• Molar Refractivity: 107.4916 cm^3
• Polarizability: 37.40969 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.3
• LOG S: -4.2
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 8