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66521-34-4 molecular structure
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2-[5-(benzyloxy)-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

ChemBase ID: 109247
Molecular Formular: C19H18N2O3
Molecular Mass: 322.35782
Monoisotopic Mass: 322.13174245
SMILES and InChIs

SMILES:
CN(C)C(=O)C(=O)c1c[nH]c2c1cc(OCc1ccccc1)cc2
Canonical SMILES:
O=C(C(=O)c1c[nH]c2c1cc(OCc1ccccc1)cc2)N(C)C
InChI:
InChI=1S/C19H18N2O3/c1-21(2)19(23)18(22)16-11-20-17-9-8-14(10-15(16)17)24-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3
InChIKey:
LGEKOYBKHSBHPK-UHFFFAOYSA-N

Cite this record

CBID:109247 http://www.chembase.cn/molecule-109247.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[5-(benzyloxy)-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
IUPAC Traditional name
2-[5-(benzyloxy)-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
Synonyms
5-BENZYLOXY-N,N-DIMETHYL-3-INDOLE-GLYOXYLAMIDE
CAS Number
66521-34-4
PubChem SID
162095047
PubChem CID
259574

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210328 external link Add to cart Please log in.
Data Source Data ID
PubChem 259574 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.5419655  H Acceptors
H Donor LogD (pH = 5.5) 2.7964609 
LogD (pH = 7.4) 2.7964578  Log P 2.7964609 
Molar Refractivity 92.0336 cm3 Polarizability 36.275032 Å3
Polar Surface Area 62.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05210328 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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