(2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide

C24H43NO — CID 11222182

IUPAC(2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide
SMILESCCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCCCC(C)C
InChIInChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23(2)3/h8-9,16-18,21,23H,4-7,10-15,19-20,22H2,1-3H3,(H,25,26)/b9-8-,17-16+,21-18+
InChIKeyOQYWYNYZGPSILS-KVFRDMGPSA-N
MW361.61 g/mol
LogP7.13
Rot. Bonds17

About (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide

(2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide (PubChem CID 11222182) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide.

Molecular Properties

Compound Name(2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide
PubChem CID11222182
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name(2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide
SMILESCCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCCCC(C)C
InChIInChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23(2)3/h8-9,16-18,21,23H,4-7,10-15,19-20,22H2,1-3H3,(H,25,26)/b9-8-,17-16+,21-18+
InChIKeyOQYWYNYZGPSILS-KVFRDMGPSA-N
XLogP7.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide with MolForge

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Related Compounds

Pellitorine
CID 5318516
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Dodecatetraenoic acid isobutylamide, (2E,4E)-
CID 6443006
Pipericine
CID 9974234
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
Tetradeca-2E,4E-Dienoic Acid Isobutylamide
CID 10731388
2,4,14-Eicosatrienoic acid isobutylamide
CID 10338645
(2E,4E,8Z)-N-isobutyltetradeca-2,4,8-trienamide
CID 73355665
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 6440539
Dodeca-2E,4E,8Z-Trienoic Acid Isobutylamide
CID 15609890
(2E,4E,8E,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 12315250

Frequently Asked Questions

What is the IUPAC name of (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide?
The IUPAC name of (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide (CID 11222182) is (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide.
What is the SMILES notation for (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide?
The canonical SMILES for (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide is CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCCCC(C)C.
What is the InChIKey of (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide?
The InChIKey is OQYWYNYZGPSILS-KVFRDMGPSA-N. The full InChI is InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23(2)3/h8-9,16-18,21,23H,4-7,10-15,19-20,22H2,1-3H3,(H,25,26)/b9-8-,17-16+,21-18+.
What are the key properties of (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide?
(2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide has a molecular weight of 361.61 g/mol, XLogP of 7.13, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,12Z)-N-(4-methylpentyl)octadeca-2,4,12-trienamide is sourced from PubChem (CID 11222182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).