(5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one

C24H39NO2 — CID 5283433

IUPAC(5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCOCC1
InChIInChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)25-20-22-27-23-21-25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyRUKZVIXSXGGFHW-DOFZRALJSA-N
MW373.58 g/mol
LogP5.99
Rot. Bonds14

About (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one

(5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one (PubChem CID 5283433) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one
PubChem CID5283433
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name(5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCOCC1
InChIInChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)25-20-22-27-23-21-25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyRUKZVIXSXGGFHW-DOFZRALJSA-N
XLogP5.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.99
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one?
The IUPAC name of (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one (CID 5283433) is (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one?
The canonical SMILES for (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCOCC1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one?
The InChIKey is RUKZVIXSXGGFHW-DOFZRALJSA-N. The full InChI is InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)25-20-22-27-23-21-25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one?
(5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one has a molecular weight of 373.58 g/mol, XLogP of 5.99, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-1-morpholin-4-ylicosa-5,8,11,14-tetraen-1-one is sourced from PubChem (CID 5283433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).