(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide

C26H45NO2 — CID 5283462

IUPAC(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide
SMILESCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChIInChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28/h10-11,13-14,16-17,19-20,28H,2-9,12,15,18,21-25H2,1H3,(H,27,29)/b11-10-,14-13-,17-16-,20-19-
InChIKeyVSXMETRRPGNXGU-AILJCPQKSA-N
MW403.65 g/mol
LogP6.80
Rot. Bonds20

About (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide (PubChem CID 5283462) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide
PubChem CID5283462
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide
SMILESCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChIInChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28/h10-11,13-14,16-17,19-20,28H,2-9,12,15,18,21-25H2,1H3,(H,27,29)/b11-10-,14-13-,17-16-,20-19-
InChIKeyVSXMETRRPGNXGU-AILJCPQKSA-N
XLogP6.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 56.80
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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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide (CID 5283462) is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide is CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide?
The InChIKey is VSXMETRRPGNXGU-AILJCPQKSA-N. The full InChI is InChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28/h10-11,13-14,16-17,19-20,28H,2-9,12,15,18,21-25H2,1H3,(H,27,29)/b11-10-,14-13-,17-16-,20-19-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide has a molecular weight of 403.65 g/mol, XLogP of 6.80, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).