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2-(2-methoxyethyl)-9-[(1-propyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

ChemBase ID: 320845
Molecular Formular: C19H32N4O2
Molecular Mass: 348.48298
Monoisotopic Mass: 348.25252628
SMILES and InChIs

SMILES:
c1(n(ccn1)CCC)CN1CCC2(CN(C(=O)CC2)CCOC)CC1
Canonical SMILES:
CCCn1ccnc1CN1CCC2(CC1)CCC(=O)N(C2)CCOC
InChI:
InChI=1S/C19H32N4O2/c1-3-9-22-12-8-20-17(22)15-21-10-6-19(7-11-21)5-4-18(24)23(16-19)13-14-25-2/h8,12H,3-7,9-11,13-16H2,1-2H3
InChIKey:
QOKBHBYIFLACHA-UHFFFAOYSA-N

Cite this record

CBID:320845 http://www.chembase.cn/molecule-320845.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methoxyethyl)-9-[(1-propyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
2-(2-methoxyethyl)-9-[(1-propylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
Synonyms
2-(2-methoxyethyl)-9-[(1-propyl-1H-imidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.96867996  LogD (pH = 7.4) 0.5189516 
Log P 0.8099133  Molar Refractivity 99.2574 cm3
Polarizability 38.497143 Å3 Polar Surface Area 50.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.39  LOG S -2.93 
Polar Surface Area 50.6 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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