2-[3-({10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl}methyl)phenoxy]acetamide

• ChemBase ID: 500422
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: N1(Cc2cc(OCC(=O)N)ccc2)CCC2(CC1)CCC(=O)NCC2
• Canonical SMILES: NC(=O)COc1cccc(c1)CN1CCC2(CC1)CCNC(=O)CC2
• InChI: InChI=1S/C19H27N3O3/c20-17(23)14-25-16-3-1-2-15(12-16)13-22-10-7-19(8-11-22)5-4-18(24)21-9-6-19/h1-3,12H,4-11,13-14H2,(H2,20,23)(H,21,24)
• InChIKey: MDEJNIUXVUOHIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-({10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl}methyl)phenoxy]acetamide
• IUPAC Traditional name: 2-[3-({10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl}methyl)phenoxy]acetamide
• Synonyms: 2-{3-[(10-oxo-3,9-diazaspiro[5.6]dodec-3-yl)methyl]phenoxy}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.596823
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.5651758
• LogD (pH = 7.4): -0.8306419
• Log P: 0.3775405
• Molar Refractivity: 95.9911 cm^3
• Polarizability: 37.43243 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.34
• LOG S: -2.74
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 5