(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide

C26H42N2O — CID 90008859

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]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)NCCN(C)C
InChIInChI=1S/C26H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28(2)3/h5-6,8-9,11-12,14-15,17-18,20-21H,4,7,10,13,16,19,22-25H2,1-3H3,(H,27,29)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyPRUTWBOXMPWQEK-YNUSHXQLSA-N
MW398.64 g/mol
LogP6.14
Rot. Bonds17

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 90008859) has the molecular formula C26H42N2O and a molecular weight of 398.64 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide
PubChem CID90008859
Molecular FormulaC26H42N2O
Molecular Weight398.64 g/mol
Exact Mass398.33
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]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)NCCN(C)C
InChIInChI=1S/C26H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28(2)3/h5-6,8-9,11-12,14-15,17-18,20-21H,4,7,10,13,16,19,22-25H2,1-3H3,(H,27,29)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyPRUTWBOXMPWQEK-YNUSHXQLSA-N
XLogP6.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 56.14
H-Bond Donors ≤ 51
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-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide (CID 90008859) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]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)NCCN(C)C.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is PRUTWBOXMPWQEK-YNUSHXQLSA-N. The full InChI is InChI=1S/C26H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28(2)3/h5-6,8-9,11-12,14-15,17-18,20-21H,4,7,10,13,16,19,22-25H2,1-3H3,(H,27,29)/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-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 398.64 g/mol, XLogP of 6.14, 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-(dimethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 90008859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).