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675112-76-2 molecular structure
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3-amino-N-cyclohexyl-N-methylbenzamide

ChemBase ID: 17731
Molecular Formular: C14H20N2O
Molecular Mass: 232.3214
Monoisotopic Mass: 232.15756327
SMILES and InChIs

SMILES:
c1(C(=O)N(C2CCCCC2)C)cc(ccc1)N
Canonical SMILES:
Nc1cccc(c1)C(=O)N(C1CCCCC1)C
InChI:
InChI=1S/C14H20N2O/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9,15H2,1H3
InChIKey:
QSSZFEXITQOVAN-UHFFFAOYSA-N

Cite this record

CBID:17731 http://www.chembase.cn/molecule-17731.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-N-cyclohexyl-N-methylbenzamide
IUPAC Traditional name
3-amino-N-cyclohexyl-N-methylbenzamide
Synonyms
3-Amino-N-cyclohexyl-N-methyl-benzamide
3-amino-N-cyclohexyl-N-methylbenzamide
CAS Number
675112-76-2
MDL Number
MFCD02182182
PubChem SID
160981038
PubChem CID
6463810

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6463810 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2387288  LogD (pH = 7.4) 2.2415469 
Log P 2.2415829  Molar Refractivity 70.6444 cm3
Polarizability 26.46169 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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