(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide

C22H41NO2 — CID 21158622

IUPAC(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCC/C=C/C=C/C(=O)NCCO
InChIInChI=1S/C22H41NO2/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/h16-19,24H,2-15,20-21H2,1H3,(H,23,25)/b17-16+,19-18+
InChIKeyPLPMPFMPTZISKM-NBRVCOCJSA-N
MW351.58 g/mol
LogP5.69
Rot. Bonds18

About (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide

(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide (PubChem CID 21158622) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
PubChem CID21158622
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
SMILESCCCCCCCCCCCCCCC/C=C/C=C/C(=O)NCCO
InChIInChI=1S/C22H41NO2/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/h16-19,24H,2-15,20-21H2,1H3,(H,23,25)/b17-16+,19-18+
InChIKeyPLPMPFMPTZISKM-NBRVCOCJSA-N
XLogP5.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide
CID 21158641
N-(2-hydroxyethyl)-13-(3-pentyloxiran-2-yl)trideca-2,4,6,8-tetraenamide
CID 123989085
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
N-methylhexadeca-2,4-dienamide
CID 123429480
N-methyltetradeca-2,4-dienamide
CID 123476396
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 101160253
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
(E)-N-butyldec-2-enamide
CID 160628271
(2E,4Z)-N-methyldeca-2,4-dienamide
CID 87311130
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
N-(2-methylbutyl)dodeca-2,4-dienamide
CID 162868762

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide (CID 21158622) is (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide is CCCCCCCCCCCCCCC/C=C/C=C/C(=O)NCCO.
What is the InChIKey of (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide?
The InChIKey is PLPMPFMPTZISKM-NBRVCOCJSA-N. The full InChI is InChI=1S/C22H41NO2/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/h16-19,24H,2-15,20-21H2,1H3,(H,23,25)/b17-16+,19-18+.
What are the key properties of (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide?
(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide has a molecular weight of 351.58 g/mol, XLogP of 5.69, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide is sourced from PubChem (CID 21158622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).