N-[2-(4-fluorophenyl)ethyl]-2-[6-oxo-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]acetamide

• ChemBase ID: 752243
• Molecular Formular: C21H30FN3O2
• Molecular Mass: 375.4802032
• Monoisotopic Mass: 375.23220544
• SMILES: C1(=O)C2(CN(CC(=O)NCCc3ccc(F)cc3)CC2)CCCN1C(C)C
• Canonical SMILES: O=C(CN1CCC2(C1)CCCN(C2=O)C(C)C)NCCc1ccc(cc1)F
• InChI: InChI=1S/C21H30FN3O2/c1-16(2)25-12-3-9-21(20(25)27)10-13-24(15-21)14-19(26)23-11-8-17-4-6-18(22)7-5-17/h4-7,16H,3,8-15H2,1-2H3,(H,23,26)
• InChIKey: ZRPMYWKVAKCMTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-fluorophenyl)ethyl]-2-[6-oxo-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]acetamide
• IUPAC Traditional name: N-[2-(4-fluorophenyl)ethyl]-2-{7-isopropyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}acetamide
• Synonyms: N-[2-(4-fluorophenyl)ethyl]-2-(7-isopropyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.053688
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7167973
• LogD (pH = 7.4): 1.0565948
• Log P: 1.9660145
• Molar Refractivity: 104.1559 cm^3
• Polarizability: 40.101814 Å^3
• Polar Surface Area: 52.65 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: 3.05
• LOG S: -4.54
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 6