N-(2-hydroxyethyl)docos-13-enamide;hydrochloride

C24H48ClNO2 — CID 173237481

IUPACN-(2-hydroxyethyl)docos-13-enamide;hydrochloride
SMILESCCCCCCCCC=CCCCCCCCCCCCC(=O)NCCO.Cl
InChIInChI=1S/C24H47NO2.ClH/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;/h9-10,26H,2-8,11-23H2,1H3,(H,25,27);1H
InChIKeyGQZXCSRCLFNUCU-UHFFFAOYSA-N
MW418.11 g/mol
LogP7.11
Rot. Bonds21

About N-(2-hydroxyethyl)docos-13-enamide;hydrochloride

N-(2-hydroxyethyl)docos-13-enamide;hydrochloride (PubChem CID 173237481) has the molecular formula C24H48ClNO2 and a molecular weight of 418.11 g/mol. Its IUPAC name is N-(2-hydroxyethyl)docos-13-enamide;hydrochloride.

Molecular Properties

Compound NameN-(2-hydroxyethyl)docos-13-enamide;hydrochloride
PubChem CID173237481
Molecular FormulaC24H48ClNO2
Molecular Weight418.11 g/mol
Exact Mass417.34
IUPAC NameN-(2-hydroxyethyl)docos-13-enamide;hydrochloride
SMILESCCCCCCCCC=CCCCCCCCCCCCC(=O)NCCO.Cl
InChIInChI=1S/C24H47NO2.ClH/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;/h9-10,26H,2-8,11-23H2,1H3,(H,25,27);1H
InChIKeyGQZXCSRCLFNUCU-UHFFFAOYSA-N
XLogP7.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.11
LogP ≤ 57.11
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
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(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
(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-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)docos-13-enamide;hydrochloride?
The IUPAC name of N-(2-hydroxyethyl)docos-13-enamide;hydrochloride (CID 173237481) is N-(2-hydroxyethyl)docos-13-enamide;hydrochloride.
What is the SMILES notation for N-(2-hydroxyethyl)docos-13-enamide;hydrochloride?
The canonical SMILES for N-(2-hydroxyethyl)docos-13-enamide;hydrochloride is CCCCCCCCC=CCCCCCCCCCCCC(=O)NCCO.Cl.
What is the InChIKey of N-(2-hydroxyethyl)docos-13-enamide;hydrochloride?
The InChIKey is GQZXCSRCLFNUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2.ClH/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;/h9-10,26H,2-8,11-23H2,1H3,(H,25,27);1H.
What are the key properties of N-(2-hydroxyethyl)docos-13-enamide;hydrochloride?
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride has a molecular weight of 418.11 g/mol, XLogP of 7.11, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)docos-13-enamide;hydrochloride is sourced from PubChem (CID 173237481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).