N-(4-ethoxyphenyl)-3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-3-oxopropanamide

• ChemBase ID: 325941
• Molecular Formular: C20H27N3O4
• Molecular Mass: 373.44608
• Monoisotopic Mass: 373.20015636
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)CC(=O)Nc2ccc(cc2)OCC)CC1
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)CC(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C20H27N3O4/c1-3-27-16-7-5-15(6-8-16)21-17(24)13-18(25)23-12-10-20(14-23)9-4-11-22(2)19(20)26/h5-8H,3-4,9-14H2,1-2H3,(H,21,24)
• InChIKey: YVCDOFAAUKHVBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-ethoxyphenyl)-3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-3-oxopropanamide
• IUPAC Traditional name: N-(4-ethoxyphenyl)-3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-3-oxopropanamide
• Synonyms: N-(4-ethoxyphenyl)-3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-3-oxopropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.1819315
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8946396
• LogD (pH = 7.4): 0.89463913
• Log P: 0.89463985
• Molar Refractivity: 102.7054 cm^3
• Polarizability: 38.97519 Å^3
• Polar Surface Area: 78.95 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: 1.35
• LOG S: -3.08
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 5