(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide

C22H39NO — CID 122698321

IUPAC(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N(CC)CC
InChIInChI=1S/C22H39NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h7-8,10-11,13-14H,4-6,9,12,15-21H2,1-3H3/b8-7-,11-10-,14-13-
InChIKeyMWACGLHWWQNESE-JPFHKJGASA-N
MW333.56 g/mol
LogP6.44
Rot. Bonds15

About (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide

(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide (PubChem CID 122698321) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide
PubChem CID122698321
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N(CC)CC
InChIInChI=1S/C22H39NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h7-8,10-11,13-14H,4-6,9,12,15-21H2,1-3H3/b8-7-,11-10-,14-13-
InChIKeyMWACGLHWWQNESE-JPFHKJGASA-N
XLogP6.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide with MolForge

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Related Compounds

icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
CID 14753668
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855
(8Z,11Z,14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-8,11,14,17,20,23,26,29-octaenoic acid
CID 165203838
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriaconta-18,21,24,27,30,33-hexaenoate
CID 86289173
CID 87067082
CID 87067082
N,N-dimethylnon-6-enamide
CID 76781952

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide?
The IUPAC name of (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide (CID 122698321) is (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide.
What is the SMILES notation for (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide?
The canonical SMILES for (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N(CC)CC.
What is the InChIKey of (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide?
The InChIKey is MWACGLHWWQNESE-JPFHKJGASA-N. The full InChI is InChI=1S/C22H39NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h7-8,10-11,13-14H,4-6,9,12,15-21H2,1-3H3/b8-7-,11-10-,14-13-.
What are the key properties of (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide?
(9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide has a molecular weight of 333.56 g/mol, XLogP of 6.44, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-N,N-diethyloctadeca-9,12,15-trienamide is sourced from PubChem (CID 122698321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).