N-{3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]phenyl}acetamide

• ChemBase ID: 346668
• Molecular Formular: C25H37N3O2
• Molecular Mass: 411.58018
• Monoisotopic Mass: 411.28857744
• SMILES: N1(C(=O)c2cc(NC(=O)C)ccc2)CC2(CN(CCC3CCCCC3)CCC2)CC1
• Canonical SMILES: CC(=O)Nc1cccc(c1)C(=O)N1CCC2(C1)CCCN(C2)CCC1CCCCC1
• InChI: InChI=1S/C25H37N3O2/c1-20(29)26-23-10-5-9-22(17-23)24(30)28-16-13-25(19-28)12-6-14-27(18-25)15-11-21-7-3-2-4-8-21/h5,9-10,17,21H,2-4,6-8,11-16,18-19H2,1H3,(H,26,29)
• InChIKey: DLUZPFAMMFRPET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]phenyl}acetamide
• IUPAC Traditional name: N-{3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]phenyl}acetamide
• Synonyms: N-(3-{[7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.988196
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.1065632
• LogD (pH = 7.4): 1.2094976
• Log P: 3.5376291
• Molar Refractivity: 122.9974 cm^3
• Polarizability: 46.844887 Å^3
• Polar Surface Area: 52.65 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: 4.28
• LOG S: -5.46
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5