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

• ChemBase ID: 489136
• Molecular Formular: C21H31N3O3
• Molecular Mass: 373.48914
• Monoisotopic Mass: 373.23654187
• SMILES: C1(=O)C2(CN(CC(=O)NCc3c(OC)cccc3)CC2)CCCN1C(C)C
• Canonical SMILES: COc1ccccc1CNC(=O)CN1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C21H31N3O3/c1-16(2)24-11-6-9-21(20(24)26)10-12-23(15-21)14-19(25)22-13-17-7-4-5-8-18(17)27-3/h4-5,7-8,16H,6,9-15H2,1-3H3,(H,22,25)
• InChIKey: DQBCIFHKBOMNBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.38377
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1932815
• LogD (pH = 7.4): 0.579249
• Log P: 1.3769801
• Molar Refractivity: 105.6477 cm^3
• Polarizability: 41.112328 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.26
• LOG S: -3.85
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6