(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide

C26H47NO — CID 162644302

IUPAC(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C1CCCCC1
InChIInChI=1S/C26H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,24-25H,3-6,9,12-23H2,1-2H3,(H,27,28)/b8-7-,11-10-
InChIKeyWFVOUUIVOZXZKH-NQLNTKRDSA-N
MW389.67 g/mol
LogP7.88
Rot. Bonds16

About (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide

(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide (PubChem CID 162644302) has the molecular formula C26H47NO and a molecular weight of 389.67 g/mol. Its IUPAC name is (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide
PubChem CID162644302
Molecular FormulaC26H47NO
Molecular Weight389.67 g/mol
Exact Mass389.37
IUPAC Name(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C1CCCCC1
InChIInChI=1S/C26H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,24-25H,3-6,9,12-23H2,1-2H3,(H,27,28)/b8-7-,11-10-
InChIKeyWFVOUUIVOZXZKH-NQLNTKRDSA-N
XLogP7.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 57.88
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'}

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Related Compounds

Stearyl erucamide
CID 6436363
Oleyl palmitamide
CID 6436436
N-(3-methyl-butyl)arachidonoylamide
CID 5283399
Dilinoleamidopropyl Dimethylamine
CID 91864481
9-Octadecenamide, N-(1-methylethyl)-, (9Z)-
CID 6436377
9-Octadecenamide, N-(9Z)-9-octadecen-1-yl-, (9Z)-
CID 6442040
(9Z)-N-(9Z)-9-Octadecen-1-yl-9-octadecenamide
CID 51341857
N-propyl alpha-methyl arachidonoyl amine
CID 5283416
N-isopropyl alpha-methylarachidonoyl amine
CID 5283418
N-isopropyl alpha,alpha-dimethylarachidonoyl amine
CID 5283419
(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283440
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283442

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide (CID 162644302) is (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C1CCCCC1.
What is the InChIKey of (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide?
The InChIKey is WFVOUUIVOZXZKH-NQLNTKRDSA-N. The full InChI is InChI=1S/C26H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)27-24(2)25-21-18-17-19-22-25/h7-8,10-11,24-25H,3-6,9,12-23H2,1-2H3,(H,27,28)/b8-7-,11-10-.
What are the key properties of (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide?
(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide has a molecular weight of 389.67 g/mol, XLogP of 7.88, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide is sourced from PubChem (CID 162644302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).