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247098-18-6 molecular structure
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3-ethyl-4-methyl-2-oxo-N-(2-phenylethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide

ChemBase ID: 168509
Molecular Formular: C16H20N2O2
Molecular Mass: 272.3422
Monoisotopic Mass: 272.15247789
SMILES and InChIs

SMILES:
C1(=O)N(CC(=C1CC)C)C(=O)NCCc1ccccc1
Canonical SMILES:
CCC1=C(C)CN(C1=O)C(=O)NCCc1ccccc1
InChI:
InChI=1S/C16H20N2O2/c1-3-14-12(2)11-18(15(14)19)16(20)17-10-9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,17,20)
InChIKey:
VAQWDIFLYGGQLK-UHFFFAOYSA-N

Cite this record

CBID:168509 http://www.chembase.cn/molecule-168509.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethyl-4-methyl-2-oxo-N-(2-phenylethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide
IUPAC Traditional name
3-ethyl-4-methyl-2-oxo-N-(2-phenylethyl)-5H-pyrrole-1-carboxamide
Synonyms
4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzene
3-Ethyl-2,5-dihydro-4-methyl-2-oxo-N-(2-phenylethyl)-1H-pyrrole-1-carboxamide
CAS Number
247098-18-6
PubChem SID
162262641
PubChem CID
29979818

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E916535 external link Add to cart
PubChem 29979818 external link
Data Source Data ID Price
TRC
E916535 external link Add to cart Please log in.
Data Source Data ID
PubChem 29979818 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.880419  H Acceptors
H Donor LogD (pH = 5.5) 2.5494752 
LogD (pH = 7.4) 2.5494752  Log P 2.5494752 
Molar Refractivity 78.9442 cm3 Polarizability 30.188148 Å3
Polar Surface Area 49.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - E916535 external link
Intermediate for the preparation of Glimepiride.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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