N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 733820
• Molecular Formular: C22H33N3O
• Molecular Mass: 355.51692
• Monoisotopic Mass: 355.26236269
• SMILES: C(=O)(NC(CC1Cc2c(C1)cccc2)(C)C)C1NCC2(C1)CCNCC2
• Canonical SMILES: O=C(C1NCC2(C1)CCNCC2)NC(CC1Cc2c(C1)cccc2)(C)C
• InChI: InChI=1S/C22H33N3O/c1-21(2,13-16-11-17-5-3-4-6-18(17)12-16)25-20(26)19-14-22(15-24-19)7-9-23-10-8-22/h3-6,16,19,23-24H,7-15H2,1-2H3,(H,25,26)
• InChIKey: SXCHFKCWXNXFEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.708244
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.0265374
• LogD (pH = 7.4): -2.7364337
• Log P: 2.4141908
• Molar Refractivity: 105.6963 cm^3
• Polarizability: 41.729355 Å^3
• Polar Surface Area: 53.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.51
• LOG S: -3.94
• Polar Surface Area: 53.16 Å^2
• Rotatable Bonds: 4