N-[(2-methoxyphenyl)methyl]-2-{6-oxo-2,7-diazaspiro[4.5]decan-2-yl}acetamide

• ChemBase ID: 743046
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: C12(C(=O)NCCC2)CN(CC(=O)NCc2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1CNC(=O)CN1CCC2(C1)CCCNC2=O
• InChI: InChI=1S/C18H25N3O3/c1-24-15-6-3-2-5-14(15)11-20-16(22)12-21-10-8-18(13-21)7-4-9-19-17(18)23/h2-3,5-6H,4,7-13H2,1H3,(H,19,23)(H,20,22)
• InChIKey: CSVXIEIZHWGXJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2-{6-oxo-2,7-diazaspiro[4.5]decan-2-yl}acetamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2-{6-oxo-2,7-diazaspiro[4.5]decan-2-yl}acetamide
• Synonyms: N-(2-methoxybenzyl)-2-(6-oxo-2,7-diazaspiro[4.5]dec-2-yl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 2
• Log P: 0.33
• LOG S: -3.21

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.184155
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2517953
• LogD (pH = 7.4): -0.47767472
• Log P: 0.37992105
• Molar Refractivity: 91.5836 cm^3
• Polarizability: 35.59468 Å^3
• Polar Surface Area: 70.67 Å^2