N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide

C23H43NO2 — CID 85128014

IUPACN-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide
SMILESCCCCCCCCCCCCCC=CCCC=C(C)C(=O)NCCO
InChIInChI=1S/C23H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h15-16,19,25H,3-14,17-18,20-21H2,1-2H3,(H,24,26)
InChIKeySJZSLZDOZDKKND-UHFFFAOYSA-N
MW365.60 g/mol
LogP6.08
Rot. Bonds18

About N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide

N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide (PubChem CID 85128014) has the molecular formula C23H43NO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide
PubChem CID85128014
Molecular FormulaC23H43NO2
Molecular Weight365.60 g/mol
Exact Mass365.33
IUPAC NameN-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide
SMILESCCCCCCCCCCCCCC=CCCC=C(C)C(=O)NCCO
InChIInChI=1S/C23H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h15-16,19,25H,3-14,17-18,20-21H2,1-2H3,(H,24,26)
InChIKeySJZSLZDOZDKKND-UHFFFAOYSA-N
XLogP6.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.60
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide (CID 85128014) is N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide is CCCCCCCCCCCCCC=CCCC=C(C)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide?
The InChIKey is SJZSLZDOZDKKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h15-16,19,25H,3-14,17-18,20-21H2,1-2H3,(H,24,26).
What are the key properties of N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide?
N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide has a molecular weight of 365.60 g/mol, XLogP of 6.08, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylicosa-2,6-dienamide is sourced from PubChem (CID 85128014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).