(4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide

C26H41NO — CID 155525455

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-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)NC(C)(C)C
InChIInChI=1S/C26H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(28)27-26(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-24H2,1-4H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKeyPOZMVWTVAFOIKL-WSDBEMKQSA-N
MW383.62 g/mol
LogP7.38
Rot. Bonds14

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide (PubChem CID 155525455) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide
PubChem CID155525455
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-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)NC(C)(C)C
InChIInChI=1S/C26H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(28)27-26(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-24H2,1-4H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKeyPOZMVWTVAFOIKL-WSDBEMKQSA-N
XLogP7.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-tert-butyldocosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide (CID 155525455) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-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)NC(C)(C)C.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is POZMVWTVAFOIKL-WSDBEMKQSA-N. The full InChI is InChI=1S/C26H41NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(28)27-26(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-24H2,1-4H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 383.62 g/mol, XLogP of 7.38, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-tert-butyldocosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 155525455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).