(9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide

C20H37NO3 — CID 100925297

IUPAC(9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide
SMILESCCCCCC(O)/C=C/C=C\CCCCCCCC(=O)NCCO
InChIInChI=1S/C20H37NO3/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20(24)21-17-18-22/h7,9,12,15,19,22-23H,2-6,8,10-11,13-14,16-18H2,1H3,(H,21,24)/b9-7-,15-12+
InChIKeyGBQSRUAXKWJYGA-BSZOFBHHSA-N
MW339.52 g/mol
LogP3.88
Rot. Bonds16

About (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide

(9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide (PubChem CID 100925297) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide.

Molecular Properties

Compound Name(9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide
PubChem CID100925297
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name(9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide
SMILESCCCCCC(O)/C=C/C=C\CCCCCCCC(=O)NCCO
InChIInChI=1S/C20H37NO3/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20(24)21-17-18-22/h7,9,12,15,19,22-23H,2-6,8,10-11,13-14,16-18H2,1H3,(H,21,24)/b9-7-,15-12+
InChIKeyGBQSRUAXKWJYGA-BSZOFBHHSA-N
XLogP3.88
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481
methyl (9E,11E,13S)-13-hydroxyoctacosa-9,11-dienoate
CID 101242423
methyl (9E,11E,13R)-13-hydroxyoctadeca-9,11-dienoate
CID 35027784
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
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)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162

Frequently Asked Questions

What is the IUPAC name of (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide?
The IUPAC name of (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide (CID 100925297) is (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide.
What is the SMILES notation for (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide?
The canonical SMILES for (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide is CCCCCC(O)/C=C/C=C\CCCCCCCC(=O)NCCO.
What is the InChIKey of (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide?
The InChIKey is GBQSRUAXKWJYGA-BSZOFBHHSA-N. The full InChI is InChI=1S/C20H37NO3/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20(24)21-17-18-22/h7,9,12,15,19,22-23H,2-6,8,10-11,13-14,16-18H2,1H3,(H,21,24)/b9-7-,15-12+.
What are the key properties of (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide?
(9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide has a molecular weight of 339.52 g/mol, XLogP of 3.88, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide is sourced from PubChem (CID 100925297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).