N-(2-hydroxyethyl)octadeca-9,12-dienamide

C20H37NO2 — CID 2183

IUPACN-(2-hydroxyethyl)octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NCCO
InChIInChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)
InChIKeyKQXDGUVSAAQARU-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.91
Rot. Bonds16

About N-(2-hydroxyethyl)octadeca-9,12-dienamide

N-(2-hydroxyethyl)octadeca-9,12-dienamide (PubChem CID 2183) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is N-(2-hydroxyethyl)octadeca-9,12-dienamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)octadeca-9,12-dienamide
PubChem CID2183
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC NameN-(2-hydroxyethyl)octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NCCO
InChIInChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)
InChIKeyKQXDGUVSAAQARU-UHFFFAOYSA-N
XLogP4.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.91
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)octadeca-9,12-dienamide?
The IUPAC name of N-(2-hydroxyethyl)octadeca-9,12-dienamide (CID 2183) is N-(2-hydroxyethyl)octadeca-9,12-dienamide.
What is the SMILES notation for N-(2-hydroxyethyl)octadeca-9,12-dienamide?
The canonical SMILES for N-(2-hydroxyethyl)octadeca-9,12-dienamide is CCCCCC=CCC=CCCCCCCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)octadeca-9,12-dienamide?
The InChIKey is KQXDGUVSAAQARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23).
What are the key properties of N-(2-hydroxyethyl)octadeca-9,12-dienamide?
N-(2-hydroxyethyl)octadeca-9,12-dienamide has a molecular weight of 323.52 g/mol, XLogP of 4.91, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)octadeca-9,12-dienamide is sourced from PubChem (CID 2183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).