N-[2-(3-chlorophenyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 578181
• Molecular Formular: C18H26ClN3O
• Molecular Mass: 335.87154
• Monoisotopic Mass: 335.17644015
• SMILES: N1(C(C(=O)NCCc2cc(Cl)ccc2)CC2(C1)CCNCC2)C
• Canonical SMILES: CN1CC2(CC1C(=O)NCCc1cccc(c1)Cl)CCNCC2
• InChI: InChI=1S/C18H26ClN3O/c1-22-13-18(6-9-20-10-7-18)12-16(22)17(23)21-8-5-14-3-2-4-15(19)11-14/h2-4,11,16,20H,5-10,12-13H2,1H3,(H,21,23)
• InChIKey: RVNARMHPSRUABH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-chlorophenyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[2-(3-chlorophenyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(3-chlorophenyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.99817
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0656056
• LogD (pH = 7.4): -1.8212621
• Log P: 1.9228485
• Molar Refractivity: 94.3502 cm^3
• Polarizability: 37.09025 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.79
• LOG S: -3.18
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 4