3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 674497
• Molecular Formular: C18H25N3O5
• Molecular Mass: 363.4082
• Monoisotopic Mass: 363.17942092
• SMILES: C(=O)(N1CCC2(OCC(C2)O)CC1)Nc1cc(C(=O)NC)c(cc1)OC
• Canonical SMILES: CNC(=O)c1cc(ccc1OC)NC(=O)N1CCC2(CC1)OCC(C2)O
• InChI: InChI=1S/C18H25N3O5/c1-19-16(23)14-9-12(3-4-15(14)25-2)20-17(24)21-7-5-18(6-8-21)10-13(22)11-26-18/h3-4,9,13,22H,5-8,10-11H2,1-2H3,(H,19,23)(H,20,24)
• InChIKey: CXJHKTJULLNQNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: 3-hydroxy-N-[4-methoxy-3-(methylcarbamoyl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
• Synonyms: 3-hydroxy-N-{4-methoxy-3-[(methylamino)carbonyl]phenyl}-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.339431
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.6155375
• LogD (pH = 7.4): -0.61553794
• Log P: -0.61553746
• Molar Refractivity: 97.0534 cm^3
• Polarizability: 36.36898 Å^3
• Polar Surface Area: 100.13 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: -0.89
• LOG S: -2.4
• Polar Surface Area: 100.13 Å^2
• Rotatable Bonds: 3