(5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide

C20H33NO2 — CID 6439861

IUPAC(5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NO
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+
InChIKeyDWUNPFBWVHLUMP-CGRWFSSPSA-N
MW319.49 g/mol
LogP5.64
Rot. Bonds14

About (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide

(5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide (PubChem CID 6439861) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide
PubChem CID6439861
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NO
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+
InChIKeyDWUNPFBWVHLUMP-CGRWFSSPSA-N
XLogP5.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide (CID 6439861) is (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide is CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NO.
What is the InChIKey of (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide?
The InChIKey is DWUNPFBWVHLUMP-CGRWFSSPSA-N. The full InChI is InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+.
What are the key properties of (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide?
(5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide has a molecular weight of 319.49 g/mol, XLogP of 5.64, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,11E,14E)-N-hydroxyicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 6439861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).