(9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide

C20H37NO2 — CID 87786520

IUPAC(9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C/CCCCCCC(C(N)=O)C(C)O
InChIInChI=1S/C20H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)22)20(21)23/h7-8,10-11,18-19,22H,3-6,9,12-17H2,1-2H3,(H2,21,23)/b8-7+,11-10+
InChIKeyHJLLVERDVBGKIN-ZDVGBALWSA-N
MW323.52 g/mol
LogP4.89
Rot. Bonds15

About (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide

(9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide (PubChem CID 87786520) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide.

Molecular Properties

Compound Name(9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide
PubChem CID87786520
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name(9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C/CCCCCCC(C(N)=O)C(C)O
InChIInChI=1S/C20H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)22)20(21)23/h7-8,10-11,18-19,22H,3-6,9,12-17H2,1-2H3,(H2,21,23)/b8-7+,11-10+
InChIKeyHJLLVERDVBGKIN-ZDVGBALWSA-N
XLogP4.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.89
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 (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide?
The IUPAC name of (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide (CID 87786520) is (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide.
What is the SMILES notation for (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide?
The canonical SMILES for (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide is CCCCC/C=C/C/C=C/CCCCCCC(C(N)=O)C(C)O.
What is the InChIKey of (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide?
The InChIKey is HJLLVERDVBGKIN-ZDVGBALWSA-N. The full InChI is InChI=1S/C20H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18(2)22)20(21)23/h7-8,10-11,18-19,22H,3-6,9,12-17H2,1-2H3,(H2,21,23)/b8-7+,11-10+.
What are the key properties of (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide?
(9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide has a molecular weight of 323.52 g/mol, XLogP of 4.89, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,12E)-2-(1-hydroxyethyl)octadeca-9,12-dienamide is sourced from PubChem (CID 87786520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).