(5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide

C22H39NO2 — CID 155558297

IUPAC(5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide
SMILESCCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)NCCO
InChIInChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,15-16,24H,2-5,8,11-14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,16-15-
InChIKeyGRALDOVISFMWKP-URZBRJKDSA-N
MW349.56 g/mol
LogP5.46
Rot. Bonds17

About (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide

(5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide (PubChem CID 155558297) has the molecular formula C22H39NO2 and a molecular weight of 349.56 g/mol. Its IUPAC name is (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide.

Molecular Properties

Compound Name(5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide
PubChem CID155558297
Molecular FormulaC22H39NO2
Molecular Weight349.56 g/mol
Exact Mass349.30
IUPAC Name(5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide
SMILESCCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)NCCO
InChIInChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,15-16,24H,2-5,8,11-14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,16-15-
InChIKeyGRALDOVISFMWKP-URZBRJKDSA-N
XLogP5.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 55.46
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 (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide?
The IUPAC name of (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide (CID 155558297) is (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide.
What is the SMILES notation for (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide?
The canonical SMILES for (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide is CCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)NCCO.
What is the InChIKey of (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide?
The InChIKey is GRALDOVISFMWKP-URZBRJKDSA-N. The full InChI is InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,15-16,24H,2-5,8,11-14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,16-15-.
What are the key properties of (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide?
(5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide has a molecular weight of 349.56 g/mol, XLogP of 5.46, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,11,14-trienamide is sourced from PubChem (CID 155558297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).