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77448-63-6 | 2,4,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (E,E,Z,Z)-
CAS No: 77448-63-6 Catalog No: AG005BAA MDL No:
Product Description
Catalog Number:
AG005BAA
Chemical Name:
2,4,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (E,E,Z,Z)-
CAS Number:
77448-63-6
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
(2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
InChI:
InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4-,7-6-,11-10+,13-12+
InChI Key:
VLGRWXYRKYWRPX-VSRLVKTQSA-N
SMILES:
C/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C
UNII:
89G464XVIL
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Activation of PPARgamma by metabolites from the flowers of purple coneflower (Echinacea purpurea). | Journal of natural products 20090522 |
| Macrophage activating effects of new alkamides from the roots of Echinacea species. | Journal of natural products 20050501 |
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