docos-3-enamide

C22H43NO — CID 90921167

IUPACdocos-3-enamide
SMILESCCCCCCCCCCCCCCCCCCC=CCC(N)=O
InChIInChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h19-20H,2-18,21H2,1H3,(H2,23,24)
InChIKeyFEPOTXQODGHRKG-UHFFFAOYSA-N
MW337.59 g/mol
LogP7.07
Rot. Bonds19

About docos-3-enamide

docos-3-enamide (PubChem CID 90921167) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is docos-3-enamide.

Molecular Properties

Compound Namedocos-3-enamide
PubChem CID90921167
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Namedocos-3-enamide
SMILESCCCCCCCCCCCCCCCCCCC=CCC(N)=O
InChIInChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h19-20H,2-18,21H2,1H3,(H2,23,24)
InChIKeyFEPOTXQODGHRKG-UHFFFAOYSA-N
XLogP7.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Oleamide
CID 5283387
Erucamide
CID 5365371
Linoleamide
CID 6435901
Arachidonoyl amine
CID 5283393
Elaidamide
CID 5353370
(9Z,12Z,15Z)-9,12,15-Octadecatrienamide
CID 9882094
Palmitoleamide
CID 56936054
11-Eicosenamide, (11Z)-
CID 5365374
9-Octadecenamide
CID 1930
(E)-13-Docosenamide
CID 5365369
Nervonamide
CID 11963502
(11Z,14Z)-eicosadienamide
CID 16759324

Frequently Asked Questions

What is the IUPAC name of docos-3-enamide?
The IUPAC name of docos-3-enamide (CID 90921167) is docos-3-enamide.
What is the SMILES notation for docos-3-enamide?
The canonical SMILES for docos-3-enamide is CCCCCCCCCCCCCCCCCCC=CCC(N)=O.
What is the InChIKey of docos-3-enamide?
The InChIKey is FEPOTXQODGHRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h19-20H,2-18,21H2,1H3,(H2,23,24).
What are the key properties of docos-3-enamide?
docos-3-enamide has a molecular weight of 337.59 g/mol, XLogP of 7.07, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for docos-3-enamide is sourced from PubChem (CID 90921167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).