8-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 855865
• Molecular Formular: C20H29FN2O
• Molecular Mass: 332.4554632
• Monoisotopic Mass: 332.22639178
• SMILES: N1(C(=O)CC2(C1)CCN(Cc1c(c(F)ccc1)C)CC2)CC(C)C
• Canonical SMILES: CC(CN1CC2(CC1=O)CCN(CC2)Cc1cccc(c1C)F)C
• InChI: InChI=1S/C20H29FN2O/c1-15(2)12-23-14-20(11-19(23)24)7-9-22(10-8-20)13-17-5-4-6-18(21)16(17)3/h4-6,15H,7-14H2,1-3H3
• InChIKey: FUGZUHKBZLBLGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(3-fluoro-2-methylbenzyl)-2-isobutyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.334538
• LogD (pH = 7.4): 2.075208
• Log P: 3.2550437
• Molar Refractivity: 96.1636 cm^3
• Polarizability: 36.957516 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.65
• LOG S: -4.74
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4