(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide

C24H44N4O — CID 53251543

IUPAC(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCCCCN=[N+]=[N-]
InChIInChI=1S/C24H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(29)26-22-19-16-17-20-23-27-28-25/h6-7,9-10H,2-5,8,11-23H2,1H3,(H,26,29)/b7-6-,10-9-
InChIKeyAJKYMBRAZRHKDK-HZJYTTRNSA-N
MW404.64 g/mol
LogP7.79
Rot. Bonds21

About (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide

(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide (PubChem CID 53251543) has the molecular formula C24H44N4O and a molecular weight of 404.64 g/mol. Its IUPAC name is (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide
PubChem CID53251543
Molecular FormulaC24H44N4O
Molecular Weight404.64 g/mol
Exact Mass404.35
IUPAC Name(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCCCCN=[N+]=[N-]
InChIInChI=1S/C24H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(29)26-22-19-16-17-20-23-27-28-25/h6-7,9-10H,2-5,8,11-23H2,1H3,(H,26,29)/b7-6-,10-9-
InChIKeyAJKYMBRAZRHKDK-HZJYTTRNSA-N
XLogP7.79
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide with MolForge

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Related Compounds

N-(4-azidobutyl)heptanamide
CID 106386394
N-(4-azidobutyl)hexanamide
CID 106386708
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide (CID 53251543) is (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCCCCN=[N+]=[N-].
What is the InChIKey of (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide?
The InChIKey is AJKYMBRAZRHKDK-HZJYTTRNSA-N. The full InChI is InChI=1S/C24H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(29)26-22-19-16-17-20-23-27-28-25/h6-7,9-10H,2-5,8,11-23H2,1H3,(H,26,29)/b7-6-,10-9-.
What are the key properties of (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide?
(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide has a molecular weight of 404.64 g/mol, XLogP of 7.79, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide is sourced from PubChem (CID 53251543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).