N-(2-hydroxyethyl)icosa-5,8,11-trienamide

C22H39NO2 — CID 4029

IUPACN-(2-hydroxyethyl)icosa-5,8,11-trienamide
SMILESCCCCCCCCC=CCC=CCC=CCCCC(=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/h9-10,12-13,15-16,24H,2-8,11,14,17-21H2,1H3,(H,23,25)
InChIKeyYKGQBEGMUSSPFY-UHFFFAOYSA-N
MW349.56 g/mol
LogP5.46
Rot. Bonds17

About N-(2-hydroxyethyl)icosa-5,8,11-trienamide

N-(2-hydroxyethyl)icosa-5,8,11-trienamide (PubChem CID 4029) has the molecular formula C22H39NO2 and a molecular weight of 349.56 g/mol. Its IUPAC name is N-(2-hydroxyethyl)icosa-5,8,11-trienamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)icosa-5,8,11-trienamide
PubChem CID4029
Molecular FormulaC22H39NO2
Molecular Weight349.56 g/mol
Exact Mass349.30
IUPAC NameN-(2-hydroxyethyl)icosa-5,8,11-trienamide
SMILESCCCCCCCCC=CCC=CCC=CCCCC(=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/h9-10,12-13,15-16,24H,2-8,11,14,17-21H2,1H3,(H,23,25)
InChIKeyYKGQBEGMUSSPFY-UHFFFAOYSA-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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Related Compounds

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481
2-aminoethanol;(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane
CID 158737731
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide
CID 58545003
(3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide
CID 169175675
1,3-dihydroxypropan-2-yl icosanoate;(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
CID 137377427
(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide
CID 154734676
N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
CID 1977
N-[2-[2-[2-[2-(octadeca-9,12-dienoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 57356255

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)icosa-5,8,11-trienamide?
The IUPAC name of N-(2-hydroxyethyl)icosa-5,8,11-trienamide (CID 4029) is N-(2-hydroxyethyl)icosa-5,8,11-trienamide.
What is the SMILES notation for N-(2-hydroxyethyl)icosa-5,8,11-trienamide?
The canonical SMILES for N-(2-hydroxyethyl)icosa-5,8,11-trienamide is CCCCCCCCC=CCC=CCC=CCCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)icosa-5,8,11-trienamide?
The InChIKey is YKGQBEGMUSSPFY-UHFFFAOYSA-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/h9-10,12-13,15-16,24H,2-8,11,14,17-21H2,1H3,(H,23,25).
What are the key properties of N-(2-hydroxyethyl)icosa-5,8,11-trienamide?
N-(2-hydroxyethyl)icosa-5,8,11-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 N-(2-hydroxyethyl)icosa-5,8,11-trienamide is sourced from PubChem (CID 4029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).