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

• ChemBase ID: 864086
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: C12(C(=O)N(CCC2)C)CN(CC(=O)NCc2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1CNC(=O)CN1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C19H27N3O3/c1-21-10-5-8-19(18(21)24)9-11-22(14-19)13-17(23)20-12-15-6-3-4-7-16(15)25-2/h3-4,6-7H,5,8-14H2,1-2H3,(H,20,23)
• InChIKey: YCGHYPGMIWTWHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.301788
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.064384
• LogD (pH = 7.4): -0.29058224
• Log P: 0.6035971
• Molar Refractivity: 96.4803 cm^3
• Polarizability: 37.433224 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: 4
• H Donor: 1
• Log P: 1.38
• LOG S: -2.9
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5