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

C26H41NO2 — CID 155538848

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-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)CCOC
InChIInChI=1S/C26H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(2)24-25-29-3/h5-6,8-9,11-12,14-15,17-18,20-21H,4,7,10,13,16,19,22-25H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyXIOPTEYUXTXHIA-YNUSHXQLSA-N
MW399.62 g/mol
LogP6.57
Rot. Bonds17

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

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide (PubChem CID 155538848) has the molecular formula C26H41NO2 and a molecular weight of 399.62 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
PubChem CID155538848
Molecular FormulaC26H41NO2
Molecular Weight399.62 g/mol
Exact Mass399.31
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-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)CCOC
InChIInChI=1S/C26H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(2)24-25-29-3/h5-6,8-9,11-12,14-15,17-18,20-21H,4,7,10,13,16,19,22-25H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyXIOPTEYUXTXHIA-YNUSHXQLSA-N
XLogP6.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-N-methyldocosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide (CID 155538848) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-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)CCOC.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is XIOPTEYUXTXHIA-YNUSHXQLSA-N. The full InChI is InChI=1S/C26H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(2)24-25-29-3/h5-6,8-9,11-12,14-15,17-18,20-21H,4,7,10,13,16,19,22-25H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 399.62 g/mol, XLogP of 6.57, 17 rotatable bonds, 0 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)-N-methyldocosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 155538848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).