N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 682898
• Molecular Formular: C23H36FN3O
• Molecular Mass: 389.5498432
• Monoisotopic Mass: 389.28424101
• SMILES: N1(C(C(=O)NC(Cc2ccc(F)cc2)(C)C)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NC(Cc1ccc(cc1)F)(C)C)CCN(CC2)C
• InChI: InChI=1S/C23H36FN3O/c1-5-12-27-17-23(10-13-26(4)14-11-23)16-20(27)21(28)25-22(2,3)15-18-6-8-19(24)9-7-18/h6-9,20H,5,10-17H2,1-4H3,(H,25,28)
• InChIKey: ZLFFCLOQSZAFGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(4-fluorophenyl)-1,1-dimethylethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.027234
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1363354
• LogD (pH = 7.4): -0.56684965
• Log P: 3.4210358
• Molar Refractivity: 113.3861 cm^3
• Polarizability: 44.087048 Å^3
• Polar Surface Area: 35.58 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: 3.4
• LOG S: -4.94
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 6