N-[2-(4-methoxyphenyl)ethyl]-2-{2-oxo-1-oxa-3,7-diazaspiro[4.5]decan-7-yl}acetamide

• ChemBase ID: 763116
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: C1(=O)OC2(CN(CC(=O)NCCc3ccc(cc3)OC)CCC2)CN1
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)CN1CCCC2(C1)CNC(=O)O2
• InChI: InChI=1S/C18H25N3O4/c1-24-15-5-3-14(4-6-15)7-9-19-16(22)11-21-10-2-8-18(13-21)12-20-17(23)25-18/h3-6H,2,7-13H2,1H3,(H,19,22)(H,20,23)
• InChIKey: HXXPPHPDRLCBDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-2-{2-oxo-1-oxa-3,7-diazaspiro[4.5]decan-7-yl}acetamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-2-{2-oxo-1-oxa-3,7-diazaspiro[4.5]decan-7-yl}acetamide
• Synonyms: N-[2-(4-methoxyphenyl)ethyl]-2-(2-oxo-1-oxa-3,7-diazaspiro[4.5]dec-7-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.104271
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8058992
• LogD (pH = 7.4): 0.6229951
• Log P: 0.7993115
• Molar Refractivity: 92.7714 cm^3
• Polarizability: 36.309452 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.1
• LOG S: -3.53
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 6