(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide

C25H39NO2 — CID 155528722

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N(C)CCO
InChIInChI=1S/C25H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26(2)23-24-27/h4-5,7-8,10-11,13-14,16-17,19-20,27H,3,6,9,12,15,18,21-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyYYLHCYRLZDQWRS-JDPCYWKWSA-N
MW385.59 g/mol
LogP5.91
Rot. Bonds16

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide (PubChem CID 155528722) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
PubChem CID155528722
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N(C)CCO
InChIInChI=1S/C25H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26(2)23-24-27/h4-5,7-8,10-11,13-14,16-17,19-20,27H,3,6,9,12,15,18,21-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyYYLHCYRLZDQWRS-JDPCYWKWSA-N
XLogP5.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide with MolForge

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Related Compounds

tert-butyl N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]-methylamino]ethyl]carbamate
CID 86639146
(3Z,6Z,9Z)-N,N-bis(2-hydroxyethyl)dodeca-3,6,9-trienamide
CID 87163900
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
CID 91747987
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide (CID 155528722) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N(C)CCO.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is YYLHCYRLZDQWRS-JDPCYWKWSA-N. The full InChI is InChI=1S/C25H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26(2)23-24-27/h4-5,7-8,10-11,13-14,16-17,19-20,27H,3,6,9,12,15,18,21-24H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 385.59 g/mol, XLogP of 5.91, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-hydroxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 155528722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).