N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide

C24H37NO2 — CID 54451837

IUPACN-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide
SMILESCCCCCCCCCC=CC=CC=CC=CC=CC=CC(=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/h10-21,26H,2-9,22-23H2,1H3,(H,25,27)
InChIKeyWVMKYAHQZYCCCX-UHFFFAOYSA-N
MW371.57 g/mol
LogP5.57
Rot. Bonds16

About N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide

N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide (PubChem CID 54451837) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide
PubChem CID54451837
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC NameN-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide
SMILESCCCCCCCCCC=CC=CC=CC=CC=CC=CC(=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/h10-21,26H,2-9,22-23H2,1H3,(H,25,27)
InChIKeyWVMKYAHQZYCCCX-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide?
The IUPAC name of N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide (CID 54451837) is N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide.
What is the SMILES notation for N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide?
The canonical SMILES for N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide is CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide?
The InChIKey is WVMKYAHQZYCCCX-UHFFFAOYSA-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/h10-21,26H,2-9,22-23H2,1H3,(H,25,27).
What are the key properties of N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide?
N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-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 N-(2-hydroxyethyl)docosa-2,4,6,8,10,12-hexaenamide is sourced from PubChem (CID 54451837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).