N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide

C38H67NO2 — CID 91090526

IUPACN-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCC(O)C=CCCCCCCCCCCCCC
InChIInChI=1S/C38H67NO2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(41)39-36-35-37(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,31,33,37,40H,3-10,12,14-16,19,21,23-25,27,29-30,32,34-36H2,1-2H3,(H,39,41)
InChIKeyIZEACYCNJJXWNB-UHFFFAOYSA-N
MW569.96 g/mol
LogP11.26
Rot. Bonds30

About N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide

N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide (PubChem CID 91090526) has the molecular formula C38H67NO2 and a molecular weight of 569.96 g/mol. Its IUPAC name is N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide
PubChem CID91090526
Molecular FormulaC38H67NO2
Molecular Weight569.96 g/mol
Exact Mass569.52
IUPAC NameN-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCC(O)C=CCCCCCCCCCCCCC
InChIInChI=1S/C38H67NO2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(41)39-36-35-37(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,31,33,37,40H,3-10,12,14-16,19,21,23-25,27,29-30,32,34-36H2,1-2H3,(H,39,41)
InChIKeyIZEACYCNJJXWNB-UHFFFAOYSA-N
XLogP11.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.96
LogP ≤ 511.26
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-(16-hydroxyoctadec-14-enyl)tetradecanamide
CID 87918867
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
CID 1977
(Z)-N-(3-methylbutyl)docos-13-enamide
CID 170129980
N-[2-[2-[2-[2-(octadeca-9,12-dienoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 57356255
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
CID 137455017
(5Z,8Z,11Z,14Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyldisulfanyl]ethyl]icosa-5,8,11,14-tetraenamide
CID 87921177

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide (CID 91090526) is N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCC(O)C=CCCCCCCCCCCCCC.
What is the InChIKey of N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is IZEACYCNJJXWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H67NO2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(41)39-36-35-37(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,31,33,37,40H,3-10,12,14-16,19,21,23-25,27,29-30,32,34-36H2,1-2H3,(H,39,41).
What are the key properties of N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide?
N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 569.96 g/mol, XLogP of 11.26, 30 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 91090526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).