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27829-46-5 | 2-PropenaMide, N,N-diethyl-3-phenyl-, (2E)-
CAS No: 27829-46-5 Catalog No: AG002UV9 MDL No:
Product Description
Catalog Number:
AG002UV9
Chemical Name:
2-PropenaMide, N,N-diethyl-3-phenyl-, (2E)-
CAS Number:
27829-46-5
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
N,N-diethyl-3-phenylprop-2-enamide
InChI:
InChI=1S/C13H17NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChI Key:
GUYVMSJRMMFSQO-UHFFFAOYSA-N
SMILES:
CCN(C(=O)/C=C/c1ccccc1)CC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Anticonvulsants containing the N-(3-aryl-2-propenoyl) amido pharmacophore. | Journal of enzyme inhibition and medicinal chemistry 20040801 |
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