(5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide

C25H43NO — CID 5283398

IUPAC(5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCC
InChIInChI=1S/C25H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(27)26-24-22-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-24H2,1-2H3,(H,26,27)/b10-9-,13-12-,16-15-,19-18-
InChIKeyLLSIFHDREVFSBI-SNPVRQPZSA-N
MW373.63 g/mol
LogP7.44
Rot. Bonds18

About (5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide (PubChem CID 5283398) has the molecular formula C25H43NO and a molecular weight of 373.63 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide
PubChem CID5283398
Molecular FormulaC25H43NO
Molecular Weight373.63 g/mol
Exact Mass373.33
IUPAC Name(5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCC
InChIInChI=1S/C25H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(27)26-24-22-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-24H2,1-2H3,(H,26,27)/b10-9-,13-12-,16-15-,19-18-
InChIKeyLLSIFHDREVFSBI-SNPVRQPZSA-N
XLogP7.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-N-pentylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide (CID 5283398) is (5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide?
The InChIKey is LLSIFHDREVFSBI-SNPVRQPZSA-N. The full InChI is InChI=1S/C25H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(27)26-24-22-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-24H2,1-2H3,(H,26,27)/b10-9-,13-12-,16-15-,19-18-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide has a molecular weight of 373.63 g/mol, XLogP of 7.44, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).