N-[4-methoxy-3-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

• ChemBase ID: 821506
• Molecular Formular: C18H24N4O5
• Molecular Mass: 376.40696
• Monoisotopic Mass: 376.17466989
• SMILES: C(=O)(N1CCC2(OC(=O)NC2)CCC1)Nc1cc(C(=O)NC)c(cc1)OC
• Canonical SMILES: CNC(=O)c1cc(ccc1OC)NC(=O)N1CCCC2(CC1)CNC(=O)O2
• InChI: InChI=1S/C18H24N4O5/c1-19-15(23)13-10-12(4-5-14(13)26-2)21-16(24)22-8-3-6-18(7-9-22)11-20-17(25)27-18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,23)(H,20,25)(H,21,24)
• InChIKey: COLBDZWLKQZQAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-methoxy-3-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• IUPAC Traditional name: N-[4-methoxy-3-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• Synonyms: N-{4-methoxy-3-[(methylamino)carbonyl]phenyl}-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.612878
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.16032974
• LogD (pH = 7.4): 0.16032748
• Log P: 0.16032985
• Molar Refractivity: 98.8438 cm^3
• Polarizability: 36.988182 Å^3
• Polar Surface Area: 109.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.04
• LOG S: -3.29
• Polar Surface Area: 109.0 Å^2
• Rotatable Bonds: 3