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8-(1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

ChemBase ID: 340267
Molecular Formular: C22H25N3O5
Molecular Mass: 411.451
Monoisotopic Mass: 411.17942092
SMILES and InChIs

SMILES:
c1(c(=O)n(ccc1)C)C(=O)N1CCC2(OC(=O)N(C2)CCOc2ccccc2)CC1
Canonical SMILES:
O=C1OC2(CN1CCOc1ccccc1)CCN(CC2)C(=O)c1cccn(c1=O)C
InChI:
InChI=1S/C22H25N3O5/c1-23-11-5-8-18(19(23)26)20(27)24-12-9-22(10-13-24)16-25(21(28)30-22)14-15-29-17-6-3-2-4-7-17/h2-8,11H,9-10,12-16H2,1H3
InChIKey:
CXGGGRMBOVQOQR-UHFFFAOYSA-N

Cite this record

CBID:340267 http://www.chembase.cn/molecule-340267.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
IUPAC Traditional name
8-(1-methyl-2-oxopyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Synonyms
8-[(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13848736 external link Add to cart
Data Source Data ID Price
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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) 0.737475  LogD (pH = 7.4) 0.7374755 
Log P 0.7374756  Molar Refractivity 110.4506 cm3
Polarizability 42.16697 Å3 Polar Surface Area 79.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.03  LOG S -3.08 
Polar Surface Area 81.08 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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