7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 679437
• Molecular Formular: C19H33N3O2
• Molecular Mass: 335.48422
• Monoisotopic Mass: 335.25727731
• SMILES: C12(C(=O)N(CC3CCCCC3)CCC2)CN(C(=O)NCCC)CC1
• Canonical SMILES: CCCNC(=O)N1CCC2(C1)CCCN(C2=O)CC1CCCCC1
• InChI: InChI=1S/C19H33N3O2/c1-2-11-20-18(24)22-13-10-19(15-22)9-6-12-21(17(19)23)14-16-7-4-3-5-8-16/h16H,2-15H2,1H3,(H,20,24)
• InChIKey: YNZXXUBDEFVECY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: 7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: 7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 15.398485
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2527153
• LogD (pH = 7.4): 2.252717
• Log P: 2.252717
• Molar Refractivity: 95.4632 cm^3
• Polarizability: 37.094585 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.14
• LOG S: -4.66
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2