(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide

C25H43NO2 — CID 5283465

IUPAC(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide
SMILESCCCCCC(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChIInChI=1S/C25H43NO2/c1-3-4-16-19-24(2)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(28)26-22-23-27/h5,7-8,10-11,13-14,17,24,27H,3-4,6,9,12,15-16,18-23H2,1-2H3,(H,26,28)/b7-5-,10-8-,13-11-,17-14-
InChIKeyJBTMRPVMELNRLS-WGTJKWGZSA-N
MW389.62 g/mol
LogP6.27
Rot. Bonds18

About (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide (PubChem CID 5283465) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide
PubChem CID5283465
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide
SMILESCCCCCC(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChIInChI=1S/C25H43NO2/c1-3-4-16-19-24(2)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(28)26-22-23-27/h5,7-8,10-11,13-14,17,24,27H,3-4,6,9,12,15-16,18-23H2,1-2H3,(H,26,28)/b7-5-,10-8-,13-11-,17-14-
InChIKeyJBTMRPVMELNRLS-WGTJKWGZSA-N
XLogP6.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.27
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)-17-methyldocosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide (CID 5283465) is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide is CCCCCC(C)C/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)-17-methyldocosa-5,8,11,14-tetraenamide?
The InChIKey is JBTMRPVMELNRLS-WGTJKWGZSA-N. The full InChI is InChI=1S/C25H43NO2/c1-3-4-16-19-24(2)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-25(28)26-22-23-27/h5,7-8,10-11,13-14,17,24,27H,3-4,6,9,12,15-16,18-23H2,1-2H3,(H,26,28)/b7-5-,10-8-,13-11-,17-14-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17-methyldocosa-5,8,11,14-tetraenamide has a molecular weight of 389.62 g/mol, XLogP of 6.27, 18 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)-17-methyldocosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).