(6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide

C20H33NO2 — CID 5283448

IUPAC(6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCCO
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,12-13,22H,2,5,8,11,14-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-,13-12-
InChIKeyBSEHZAIYCIVZNE-LTKCOYKYSA-N
MW319.49 g/mol
LogP4.46
Rot. Bonds14

About (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide

(6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide (PubChem CID 5283448) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide.

Molecular Properties

Compound Name(6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide
PubChem CID5283448
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCCO
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,12-13,22H,2,5,8,11,14-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-,13-12-
InChIKeyBSEHZAIYCIVZNE-LTKCOYKYSA-N
XLogP4.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.46
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 (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide?
The IUPAC name of (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide (CID 5283448) is (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide.
What is the SMILES notation for (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide?
The canonical SMILES for (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide is CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCCO.
What is the InChIKey of (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide?
The InChIKey is BSEHZAIYCIVZNE-LTKCOYKYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,12-13,22H,2,5,8,11,14-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-,13-12-.
What are the key properties of (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide?
(6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide has a molecular weight of 319.49 g/mol, XLogP of 4.46, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-6,9,12,15-tetraenamide is sourced from PubChem (CID 5283448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).