Basic information
- CAS
75917-90-7- Standard SMILES
C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C- InChIKey
VLGRWXYRKYWRPX-SRGJGADKSA-N- Molecular formula
- C16H25NO
- Average molar mass
- 247.38 g/mol
- Monoisotopic mass
- 247.19361442
Overview
(2E,4E,8Z,10E)-dodecatetraenoic acid isobutylamide has been reported in Echinacea angustifolia, Asarum forbesii, and other organisms with data available.
Names & identifiers
- Preferred name
- (2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
- IUPAC
- (2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
- English name
- Dodeca-2e,4e,8z,10e-tetraenic acid isobutylamide
- Molecular formula
- C16H25NO
- Molecular weight
- 247.38
Names & synonyms
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamideRefChem:20653175917-90-72,4,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (2E,4E,8Z,10E)-dodeca-2E,4E,8Z,10E-tetraenoic acid isobutylamideCHEMBL463345NXV62B426ADodecatetraenoic acid isobutylamide, (2E,4E,8Z,10E)-N-isobutyl-2E,4E,8Z,10E-dodecatetraenamideUNII-NXV62B426ANA 16:4dodecatetraenamide B
Show more names
Eicosapentaenoic Acid Impurity 42Dodeca-2,4,8,10-tetraenoic acid isobutylamide E,E,Z,E-isomer2,4,8,10-DodecatetraenaMide,N-(2-Methylpropyl)-, (2E,4E,8Z,10E)-
SCHEMBL3926840(2E,4E,8Z,10E)-N-Isobutyldodeca-2,4,8,10-tetraenamideDTXSID201380839BDBM50532222LMFA08020383(2E,4E,8Z,10E)-dodecatetraenoic acid isobutylamideQ27285097(2e,4e,8z,10e)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraen amide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
Physicochemical properties
- FDA UNII
- 62 B426A · NXV62B426A
Chemistry & industry
Applications
UsesKalecide is a natural pesticide of Echinacea angustifolia, Echinacea atrorubens and Piper sarmentosum.
Suppliers2 total
湖北扬信医药科技有限公司15347293736 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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