N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide

C24H41NO2 — CID 2186

IUPACN-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCCC(=O)NCCO
InChIInChI=1S/C24H41NO2/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/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)
InChIKeyFMVHVRYFQIXOAF-UHFFFAOYSA-N
MW375.60 g/mol
LogP6.02
Rot. Bonds18

About N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide

N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide (PubChem CID 2186) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
PubChem CID2186
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCCCC(=O)NCCO
InChIInChI=1S/C24H41NO2/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/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)
InChIKeyFMVHVRYFQIXOAF-UHFFFAOYSA-N
XLogP6.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.02
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

(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(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 N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide?
The IUPAC name of N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide (CID 2186) is N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide.
What is the SMILES notation for N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide?
The canonical SMILES for N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide?
The InChIKey is FMVHVRYFQIXOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/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/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27).
What are the key properties of N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide?
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide has a molecular weight of 375.60 g/mol, XLogP of 6.02, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide is sourced from PubChem (CID 2186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).