N-(3-acetylphenyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 549366
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: C(=O)(N1CC2(CC1)CNCCC2)Nc1cc(C(=O)C)ccc1
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2)Nc1cccc(c1)C(=O)C
• InChI: InChI=1S/C17H23N3O2/c1-13(21)14-4-2-5-15(10-14)19-16(22)20-9-7-17(12-20)6-3-8-18-11-17/h2,4-5,10,18H,3,6-9,11-12H2,1H3,(H,19,22)
• InChIKey: KDLJLHIONIEFSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetylphenyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-(3-acetylphenyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-(3-acetylphenyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.119752
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1772177
• LogD (pH = 7.4): -1.5623888
• Log P: 1.0471447
• Molar Refractivity: 87.2808 cm^3
• Polarizability: 33.037197 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.4
• LOG S: -2.59
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2