N-{[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}benzamide

• ChemBase ID: 412794
• Molecular Formular: C23H34N2O2
• Molecular Mass: 370.52826
• Monoisotopic Mass: 370.26202834
• SMILES: C(=O)(NCC1OC2(CCN(CC3CCCCC3)CC2)CC1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)NCC1CCC2(O1)CCN(CC2)CC1CCCCC1
• InChI: InChI=1S/C23H34N2O2/c26-22(20-9-5-2-6-10-20)24-17-21-11-12-23(27-21)13-15-25(16-14-23)18-19-7-3-1-4-8-19/h2,5-6,9-10,19,21H,1,3-4,7-8,11-18H2,(H,24,26)
• InChIKey: QYDBQSKGYYLQOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}benzamide
• IUPAC Traditional name: N-{[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}benzamide
• Synonyms: N-{[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.973202
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.19234541
• LogD (pH = 7.4): 1.5943421
• Log P: 3.5310092
• Molar Refractivity: 109.3735 cm^3
• Polarizability: 42.661728 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.0
• LOG S: -5.79
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5