(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide

C23H39NO2 — CID 58545003

IUPAC(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C(C)=C\CCCC(=O)NCCO
InChIInChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22(2)18-15-16-19-23(26)24-20-21-25/h7-8,10-11,13-14,18,25H,3-6,9,12,15-17,19-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,22-18-
InChIKeyFLUQNYQRVHURCN-JUFLGMOMSA-N
MW361.57 g/mol
LogP5.63
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide (PubChem CID 58545003) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide
PubChem CID58545003
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C(C)=C\CCCC(=O)NCCO
InChIInChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22(2)18-15-16-19-23(26)24-20-21-25/h7-8,10-11,13-14,18,25H,3-6,9,12,15-17,19-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,22-18-
InChIKeyFLUQNYQRVHURCN-JUFLGMOMSA-N
XLogP5.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.63
H-Bond Donors ≤ 52
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-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide with MolForge

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Related Compounds

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459
N-(2-hydroxyethyl)icosa-5,8,11-trienamide
CID 4029
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481
2-aminoethanol;(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane
CID 158737731
(3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide
CID 169175675
N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
CID 1977
(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
CID 137455017
(5Z,8Z,11Z,14Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyldisulfanyl]ethyl]icosa-5,8,11,14-tetraenamide
CID 87921177
4-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
CID 44634744

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide (CID 58545003) is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C(C)=C\CCCC(=O)NCCO.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide?
The InChIKey is FLUQNYQRVHURCN-JUFLGMOMSA-N. The full InChI is InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22(2)18-15-16-19-23(26)24-20-21-25/h7-8,10-11,13-14,18,25H,3-6,9,12,15-17,19-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,22-18-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide has a molecular weight of 361.57 g/mol, XLogP of 5.63, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 58545003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).