(5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide

C26H46N2O — CID 5283407

IUPAC(5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCN(CC)CC
InChIInChI=1S/C26H46N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28(5-2)6-3/h10-11,13-14,16-17,19-20H,4-9,12,15,18,21-25H2,1-3H3,(H,27,29)/b11-10-,14-13-,17-16-,20-19-
InChIKeyLOZCJJDEBAPQGP-AILJCPQKSA-N
MW402.67 g/mol
LogP6.59
Rot. Bonds19

About (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide (PubChem CID 5283407) has the molecular formula C26H46N2O and a molecular weight of 402.67 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide
PubChem CID5283407
Molecular FormulaC26H46N2O
Molecular Weight402.67 g/mol
Exact Mass402.36
IUPAC Name(5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCN(CC)CC
InChIInChI=1S/C26H46N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28(5-2)6-3/h10-11,13-14,16-17,19-20H,4-9,12,15,18,21-25H2,1-3H3,(H,27,29)/b11-10-,14-13-,17-16-,20-19-
InChIKeyLOZCJJDEBAPQGP-AILJCPQKSA-N
XLogP6.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide with MolForge

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Related Compounds

Arachidonylcyclopropylamide
CID 5311007
N-(3-(Dimethylamino)propyl)oleamide
CID 6436063
Stearyl erucamide
CID 6436363
Ethylene dioleamide
CID 6436065
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)icosa-5,8,11,14-tetraenamide
CID 5283436
N-methyl arachidonoyl amine
CID 5283392
N-propyl arachidonoyl amine
CID 5283394
Linoleamidopropyl Dimethylamine
CID 16745071
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-
CID 66966
Oleyl palmitamide
CID 6436436
N,N-Diethyl-N'-oleoylethylenediamine
CID 5368041
N-ethyl arachidonoyl amine
CID 5283391

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide (CID 5283407) is (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCN(CC)CC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is LOZCJJDEBAPQGP-AILJCPQKSA-N. The full InChI is InChI=1S/C26H46N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28(5-2)6-3/h10-11,13-14,16-17,19-20H,4-9,12,15,18,21-25H2,1-3H3,(H,27,29)/b11-10-,14-13-,17-16-,20-19-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 402.67 g/mol, XLogP of 6.59, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).