(5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide

C23H37NO3 — CID 141201826

IUPAC(5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide
SMILESCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(=O)CO
InChIInChI=1S/C23H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)24-23(27)21-25/h7-8,10-11,13-14,16-17,25H,2-6,9,12,15,18-21H2,1H3,(H,24,26,27)/b8-7-,11-10-,14-13-,17-16-
InChIKeyGHMLXPMMEHMFRM-ZKWNWVNESA-N
MW375.55 g/mol
LogP5.16
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide (PubChem CID 141201826) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide
PubChem CID141201826
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide
SMILESCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(=O)CO
InChIInChI=1S/C23H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)24-23(27)21-25/h7-8,10-11,13-14,16-17,25H,2-6,9,12,15,18-21H2,1H3,(H,24,26,27)/b8-7-,11-10-,14-13-,17-16-
InChIKeyGHMLXPMMEHMFRM-ZKWNWVNESA-N
XLogP5.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide with MolForge

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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
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
(E)-N-[[(E)-octadec-9-enoyl]carbamoyl]octadec-9-enamide
CID 10121222
CID 87290377
CID 87290377
N-[(octadeca-9,12-dienoylamino)methyl]octadeca-9,12-dienamide
CID 54300441
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
CID 161210613
(5E,8E,11E)-icosa-5,8,11-trienoyl chloride
CID 90092049
(Z)-docos-13-enoic acid;(5E,8E,11E)-icosa-5,8,11-trienoic acid
CID 87638416
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide (CID 141201826) is (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide is CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(=O)CO.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide?
The InChIKey is GHMLXPMMEHMFRM-ZKWNWVNESA-N. The full InChI is InChI=1S/C23H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)24-23(27)21-25/h7-8,10-11,13-14,16-17,25H,2-6,9,12,15,18-21H2,1H3,(H,24,26,27)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide has a molecular weight of 375.55 g/mol, XLogP of 5.16, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(2-hydroxyacetyl)henicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 141201826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).