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

C20H35NO2 — CID 5283445

IUPAC(6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCO
InChIInChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,12-13,22H,2-5,8,11,14-19H2,1H3,(H,21,23)/b7-6-,10-9-,13-12-
InChIKeyKRDUNUMTOBLEPM-QNEBEIHSSA-N
MW321.51 g/mol
LogP4.68
Rot. Bonds15

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

(6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide (PubChem CID 5283445) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is (6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide.

Molecular Properties

Compound Name(6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide
PubChem CID5283445
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name(6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCO
InChIInChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,12-13,22H,2-5,8,11,14-19H2,1H3,(H,21,23)/b7-6-,10-9-,13-12-
InChIKeyKRDUNUMTOBLEPM-QNEBEIHSSA-N
XLogP4.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.68
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)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide?
The IUPAC name of (6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide (CID 5283445) is (6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide.
What is the SMILES notation for (6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide?
The canonical SMILES for (6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide is CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCO.
What is the InChIKey of (6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide?
The InChIKey is KRDUNUMTOBLEPM-QNEBEIHSSA-N. The full InChI is InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,12-13,22H,2-5,8,11,14-19H2,1H3,(H,21,23)/b7-6-,10-9-,13-12-.
What are the key properties of (6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide?
(6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide has a molecular weight of 321.51 g/mol, XLogP of 4.68, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide is sourced from PubChem (CID 5283445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).