8-(2-methoxy-5-methylbenzoyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 544524
• Molecular Formular: C21H30N2O4
• Molecular Mass: 374.4739
• Monoisotopic Mass: 374.22055745
• SMILES: c1(C(=O)N2CCC3(OC(=O)N(C3)CCC(C)C)CC2)c(ccc(c1)C)OC
• Canonical SMILES: COc1ccc(cc1C(=O)N1CCC2(CC1)OC(=O)N(C2)CCC(C)C)C
• InChI: InChI=1S/C21H30N2O4/c1-15(2)7-10-23-14-21(27-20(23)25)8-11-22(12-9-21)19(24)17-13-16(3)5-6-18(17)26-4/h5-6,13,15H,7-12,14H2,1-4H3
• InChIKey: HNIVYPLHJBGNMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-methoxy-5-methylbenzoyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2-methoxy-5-methylbenzoyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2-methoxy-5-methylbenzoyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8631418
• LogD (pH = 7.4): 2.8631418
• Log P: 2.8631418
• Molar Refractivity: 104.1229 cm^3
• Polarizability: 40.002678 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.35
• LOG S: -4.79
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5