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483968-39-4 molecular structure
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N,N-diethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide

ChemBase ID: 311831
Molecular Formular: C14H23NO2
Molecular Mass: 237.33792
Monoisotopic Mass: 237.17287898
SMILES and InChIs

SMILES:
C1(C(=O)N(CC)CC)CC2C(=O)C(C1)CCC2
Canonical SMILES:
CCN(C(=O)C1CC2CCCC(C1)C2=O)CC
InChI:
InChI=1S/C14H23NO2/c1-3-15(4-2)14(17)12-8-10-6-5-7-11(9-12)13(10)16/h10-12H,3-9H2,1-2H3
InChIKey:
SJQNRBALVVJKLQ-UHFFFAOYSA-N

Cite this record

CBID:311831 http://www.chembase.cn/molecule-311831.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
IUPAC Traditional name
N,N-diethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
Synonyms
N,N-diethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CAS Number
483968-39-4
MDL Number
MFCD03230858

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1317782  LogD (pH = 7.4) 2.1317794 
Log P 2.1317794  Molar Refractivity 67.5479 cm3
Polarizability 26.339401 Å3 Polar Surface Area 37.38 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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