(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide

C25H43NO2 — CID 21158641

IUPAC(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide
SMILESCCCCCC(C)CCCCCCC/C=C\C=C\C=C/C=C/C(=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/h5,7,9,11,13,15,18,21,24,27H,3-4,6,8,10,12,14,16-17,19-20,22-23H2,1-2H3,(H,26,28)/b7-5-,11-9+,15-13-,21-18+
InChIKeyVHDQAAIDAQLUHD-ZUUFWEOFSA-N
MW389.62 g/mol
LogP6.27
Rot. Bonds18

About (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide

(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide (PubChem CID 21158641) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide.

Molecular Properties

Compound Name(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide
PubChem CID21158641
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide
SMILESCCCCCC(C)CCCCCCC/C=C\C=C\C=C/C=C/C(=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/h5,7,9,11,13,15,18,21,24,27H,3-4,6,8,10,12,14,16-17,19-20,22-23H2,1-2H3,(H,26,28)/b7-5-,11-9+,15-13-,21-18+
InChIKeyVHDQAAIDAQLUHD-ZUUFWEOFSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
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(9Z,11E)-13-hydroxy-N-(2-hydroxyethyl)octadeca-9,11-dienamide
CID 100925297
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CID 123429480
N-methyltetradeca-2,4-dienamide
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CID 87333364
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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide?
The IUPAC name of (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide (CID 21158641) is (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide.
What is the SMILES notation for (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide?
The canonical SMILES for (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide is CCCCCC(C)CCCCCCC/C=C\C=C\C=C/C=C/C(=O)NCCO.
What is the InChIKey of (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide?
The InChIKey is VHDQAAIDAQLUHD-ZUUFWEOFSA-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/h5,7,9,11,13,15,18,21,24,27H,3-4,6,8,10,12,14,16-17,19-20,22-23H2,1-2H3,(H,26,28)/b7-5-,11-9+,15-13-,21-18+.
What are the key properties of (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide?
(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-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 (2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide is sourced from PubChem (CID 21158641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).