N-[(4-fluorophenyl)methyl]-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 316646
• Molecular Formular: C19H26FN3O3
• Molecular Mass: 363.4264432
• Monoisotopic Mass: 363.19581993
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)NCc2ccc(F)cc2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)NCc1ccc(cc1)F
• InChI: InChI=1S/C19H26FN3O3/c1-26-12-11-22-9-2-7-19(17(22)24)8-10-23(14-19)18(25)21-13-15-3-5-16(20)6-4-15/h3-6H,2,7-14H2,1H3,(H,21,25)
• InChIKey: UXFKOGZKEODDBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-(4-fluorobenzyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.350956
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0793025
• LogD (pH = 7.4): 1.0793029
• Log P: 1.0793029
• Molar Refractivity: 96.3181 cm^3
• Polarizability: 36.773106 Å^3
• Polar Surface Area: 61.88 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: 1.38
• LOG S: -3.03
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5