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326898-79-7 molecular structure
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N-(2-ethoxyphenyl)-4-methylbenzamide

ChemBase ID: 299822
Molecular Formular: C16H17NO2
Molecular Mass: 255.31168
Monoisotopic Mass: 255.12592879
SMILES and InChIs

SMILES:
CCOc1ccccc1NC(=O)c1ccc(cc1)C
Canonical SMILES:
CCOc1ccccc1NC(=O)c1ccc(cc1)C
InChI:
InChI=1S/C16H17NO2/c1-3-19-15-7-5-4-6-14(15)17-16(18)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,17,18)
InChIKey:
YAKBDBYOSDUBPT-UHFFFAOYSA-N

Cite this record

CBID:299822 http://www.chembase.cn/molecule-299822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-ethoxyphenyl)-4-methylbenzamide
IUPAC Traditional name
N-(2-ethoxyphenyl)-4-methylbenzamide
Synonyms
N-(2-Ethoxyphenyl)-4-methylbenzamide
CAS Number
326898-79-7
MDL Number
MFCD00433377
PubChem SID
180685353
PubChem CID
668815

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Alfa Aesar
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Data Source Data ID
PubChem 668815 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.992031  H Acceptors
H Donor LogD (pH = 5.5) 3.7776887 
LogD (pH = 7.4) 3.7776885  Log P 3.7776887 
Molar Refractivity 77.8445 cm3 Polarizability 29.066257 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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