Home Amines 102025-82-1
102025-82-1,MFCD00172672
Catalog No.:AA0006A9
102025-82-1 | 2-Propenoic acid, 2-(benzoylamino)-3-(phenylamino)-, methyl ester
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1mg
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5mg
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10mg
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$185.00
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500mg
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Technical Information
Catalog Number:
AA0006A9
Chemical Name:
2-Propenoic acid, 2-(benzoylamino)-3-(phenylamino)-, methyl ester
CAS Number:
102025-82-1
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
MDL Number:
MFCD00172672
IUPAC Name:
methyl 3-anilino-2-benzamidoprop-2-enoate
InChI:
InChI=1S/C17H16N2O3/c1-22-17(21)15(12-18-14-10-6-3-7-11-14)19-16(20)13-8-4-2-5-9-13/h2-12,18H,1H3,(H,19,20)
InChI Key:
YNWILQLPXJKENH-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CNc1ccccc1)NC(=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.5  

Synonyms
 
102025-82-1 
2-Propenoic acid, 2-(benzoylamino)-3-(phenylamino)-, methyl ester 
methyl 3-anilino-2-benzamidoacrylate 
AKOS030240338 
MCULE-9071022039 
methyl 2-benzoylamino-3-phenylaminoacrylate 
ZINC01384897 
CID1473305 
methyl 3-anilino-2-(benzoylamino)acrylate 
methyl 3-anilino-2-benzamidoprop-2-enoate 
AC1LSY4X 
ACMC-20m51i 
methyl (2E)-3-(phenylamino)-2-(phenylformamido)prop-2-enoate 
CTK0G7840 
KS-00001QII 
DTXSID20363028 
YNWILQLPXJKENH-UHFFFAOYSA-N 
Literature
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