(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide

C25H39NO2 — CID 90071169

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-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)NCCOC
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(27)26-23-24-28-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-24H2,1-2H3,(H,26,27)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyGPZTUCQWCOVCIM-JDPCYWKWSA-N
MW385.59 g/mol
LogP6.23
Rot. Bonds17

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 90071169) 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-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide
PubChem CID90071169
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-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)NCCOC
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(27)26-23-24-28-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-24H2,1-2H3,(H,26,27)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyGPZTUCQWCOVCIM-JDPCYWKWSA-N
XLogP6.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 56.23
H-Bond Donors ≤ 51
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 (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide (CID 90071169) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-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)NCCOC.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is GPZTUCQWCOVCIM-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(27)26-23-24-28-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-24H2,1-2H3,(H,26,27)/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-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 385.59 g/mol, XLogP of 6.23, 17 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-methoxyethyl)docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 90071169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).