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138504-13-9 | 2-Butenamide, 2-acetyl-N-phenyl-3-(phenylamino)-, (Z)- (9CI)
CAS No: 138504-13-9 Catalog No: AG0019BI MDL No:
Product Description
Catalog Number:
AG0019BI
Chemical Name:
2-Butenamide, 2-acetyl-N-phenyl-3-(phenylamino)-, (Z)- (9CI)
CAS Number:
138504-13-9
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
3-hydroxy-2-(C-methyl-N-phenylcarbonimidoyl)-N-phenylbut-2-enamide
InChI:
InChI=1S/C18H18N2O2/c1-13(19-15-9-5-3-6-10-15)17(14(2)21)18(22)20-16-11-7-4-8-12-16/h3-12,21H,1-2H3,(H,20,22)
InChI Key:
CVPPWUGQQZZDAM-UHFFFAOYSA-N
SMILES:
CC(=O)/C(=C(/Nc1ccccc1)\C)/C(=O)Nc1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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