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148491-00-3 molecular structure
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2-methoxy-N,N-bis(propan-2-yl)benzamide

ChemBase ID: 300399
Molecular Formular: C14H21NO2
Molecular Mass: 235.32204
Monoisotopic Mass: 235.15722892
SMILES and InChIs

SMILES:
CC(C)N(C(C)C)C(=O)c1ccccc1OC
Canonical SMILES:
COc1ccccc1C(=O)N(C(C)C)C(C)C
InChI:
InChI=1S/C14H21NO2/c1-10(2)15(11(3)4)14(16)12-8-6-7-9-13(12)17-5/h6-11H,1-5H3
InChIKey:
JIRXADQFESAWGU-UHFFFAOYSA-N

Cite this record

CBID:300399 http://www.chembase.cn/molecule-300399.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-N,N-bis(propan-2-yl)benzamide
IUPAC Traditional name
N,N-diisopropyl-2-methoxybenzamide
Synonyms
N,N-Diisopropyl-2-methoxybenzamide
CAS Number
148491-00-3
MDL Number
MFCD01341982

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) 2.660333  LogD (pH = 7.4) 2.660333 
Log P 2.660333  Molar Refractivity 69.7278 cm3
Polarizability 26.72647 Å3 Polar Surface Area 29.54 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
TSCA Listed
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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