(4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide

C24H37NO2 — CID 22973437

IUPAC(4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)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)NCCO
InChIInChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
InChIKeyGEEHOLRSGZPBSM-SFGLVEFQSA-N
MW371.57 g/mol
LogP5.57
Rot. Bonds16

About (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide

(4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 22973437) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide
PubChem CID22973437
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)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)NCCO
InChIInChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
InChIKeyGEEHOLRSGZPBSM-SFGLVEFQSA-N
XLogP5.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.57
H-Bond Donors ≤ 52
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 (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide (CID 22973437) is (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)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)NCCO.
What is the InChIKey of (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is GEEHOLRSGZPBSM-SFGLVEFQSA-N. The full InChI is InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+.
What are the key properties of (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide?
(4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 371.57 g/mol, XLogP of 5.57, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E,10E,13E,16E,19E)-N-(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 22973437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).