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149221-05-6 | 3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-[(phenylmethyl)amino]-, methyl ester
CAS No: 149221-05-6 Catalog No: AG001LHD MDL No:
Product Description
Catalog Number:
AG001LHD
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-4-[(phenylmethyl)amino]-, methyl ester
CAS Number:
149221-05-6
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
methyl 4-(benzylamino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C16H19NO3/c1-11-8-13(9-14(18)15(11)16(19)20-2)17-10-12-6-4-3-5-7-12/h3-7,9,11,15,17H,8,10H2,1-2H3
InChI Key:
FYBZDTRKICUAPJ-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(C)CC(=CC1=O)NCc1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Anticonvulsant evaluation and mechanism of action of benzylamino enaminones. | Bioorganic & medicinal chemistry 20060801 |
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