(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide

C22H41NO2 — CID 171390761

IUPAC(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
SMILESCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)NCCO
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h11-12,15-16,24H,2-10,13-14,17-21H2,1H3,(H,23,25)/b12-11-,16-15-
InChIKeyKVMGKPOCKSIWCO-ATNUXVQMSA-N
MW351.58 g/mol
LogP5.69
Rot. Bonds18

About (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide

(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide (PubChem CID 171390761) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide.

Molecular Properties

Compound Name(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
PubChem CID171390761
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
SMILESCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)NCCO
InChIInChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h11-12,15-16,24H,2-10,13-14,17-21H2,1H3,(H,23,25)/b12-11-,16-15-
InChIKeyKVMGKPOCKSIWCO-ATNUXVQMSA-N
XLogP5.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.69
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

(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
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide
CID 154734676
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
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(E)-N-pentadecyloctadec-9-enamide
CID 166963229

Frequently Asked Questions

What is the IUPAC name of (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide?
The IUPAC name of (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide (CID 171390761) is (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide.
What is the SMILES notation for (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide?
The canonical SMILES for (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide is CCCCCCCCCC/C=C\CC/C=C\CCCC(=O)NCCO.
What is the InChIKey of (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide?
The InChIKey is KVMGKPOCKSIWCO-ATNUXVQMSA-N. The full InChI is InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h11-12,15-16,24H,2-10,13-14,17-21H2,1H3,(H,23,25)/b12-11-,16-15-.
What are the key properties of (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide?
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide has a molecular weight of 351.58 g/mol, XLogP of 5.69, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide is sourced from PubChem (CID 171390761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).