(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide

C24H45NO2 — CID 155521217

IUPAC(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)NCCO
InChIInChI=1S/C24H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,26H,2-5,8,11-23H2,1H3,(H,25,27)/b7-6-,10-9-
InChIKeyOQONQUAYXRQQLX-HZJYTTRNSA-N
MW379.63 g/mol
LogP6.47
Rot. Bonds20

About (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide

(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide (PubChem CID 155521217) has the molecular formula C24H45NO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide.

Molecular Properties

Compound Name(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
PubChem CID155521217
Molecular FormulaC24H45NO2
Molecular Weight379.63 g/mol
Exact Mass379.35
IUPAC Name(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)NCCO
InChIInChI=1S/C24H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,26H,2-5,8,11-23H2,1H3,(H,25,27)/b7-6-,10-9-
InChIKeyOQONQUAYXRQQLX-HZJYTTRNSA-N
XLogP6.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 56.47
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'}

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Related Compounds

N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(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)docos-13-enamide;hydrochloride
CID 173237481
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761
(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide
CID 154734676
N-[2-[2-[2-[2-(octadeca-9,12-dienoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 57356255
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-[(octadeca-9,12-dienoylamino)methyl]octadeca-9,12-dienamide
CID 54300441

Frequently Asked Questions

What is the IUPAC name of (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide?
The IUPAC name of (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide (CID 155521217) is (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide.
What is the SMILES notation for (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide?
The canonical SMILES for (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide is CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)NCCO.
What is the InChIKey of (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide?
The InChIKey is OQONQUAYXRQQLX-HZJYTTRNSA-N. The full InChI is InChI=1S/C24H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,26H,2-5,8,11-23H2,1H3,(H,25,27)/b7-6-,10-9-.
What are the key properties of (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide?
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide has a molecular weight of 379.63 g/mol, XLogP of 6.47, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide is sourced from PubChem (CID 155521217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).