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

C20H37NO2 — CID 5283446

IUPAC(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=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)/b7-6-,10-9-
InChIKeyKQXDGUVSAAQARU-HZJYTTRNSA-N
MW323.52 g/mol
LogP4.91
Rot. Bonds16

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

(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide (PubChem CID 5283446) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide
PubChem CID5283446
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name(9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=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)/b7-6-,10-9-
InChIKeyKQXDGUVSAAQARU-HZJYTTRNSA-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 (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide (CID 5283446) is (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO.
What is the InChIKey of (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide?
The InChIKey is KQXDGUVSAAQARU-HZJYTTRNSA-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)/b7-6-,10-9-.
What are the key properties of (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide?
(9Z,12Z)-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 (9Z,12Z)-N-(2-hydroxyethyl)octadeca-9,12-dienamide is sourced from PubChem (CID 5283446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).