N-(3-chloro-4-methylphenyl)-8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide

• ChemBase ID: 455629
• Molecular Formular: C20H26ClN3O2
• Molecular Mass: 375.89234
• Monoisotopic Mass: 375.17135477
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)Nc1cc(c(cc1)C)Cl)CCC2)C1CC1
• Canonical SMILES: O=C(N1CCCC2(C1)CCC(=O)N(C2)C1CC1)Nc1ccc(c(c1)Cl)C
• InChI: InChI=1S/C20H26ClN3O2/c1-14-3-4-15(11-17(14)21)22-19(26)23-10-2-8-20(12-23)9-7-18(25)24(13-20)16-5-6-16/h3-4,11,16H,2,5-10,12-13H2,1H3,(H,22,26)
• InChIKey: OPCPXJRLXTZBHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chloro-4-methylphenyl)-8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide
• IUPAC Traditional name: N-(3-chloro-4-methylphenyl)-8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide
• Synonyms: N-(3-chloro-4-methylphenyl)-8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.480729
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9482439
• LogD (pH = 7.4): 2.9482439
• Log P: 2.948244
• Molar Refractivity: 103.4564 cm^3
• Polarizability: 39.275 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.09
• LOG S: -4.58
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2