(Z)-N-pentyloctadec-9-enamide

C23H45NO — CID 139961885

IUPAC(Z)-N-pentyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCCC
InChIInChI=1S/C23H45NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(25)24-22-20-6-4-2/h12-13H,3-11,14-22H2,1-2H3,(H,24,25)/b13-12-
InChIKeyAXELDFASZAHKFD-SEYXRHQNSA-N
MW351.62 g/mol
LogP7.33
Rot. Bonds19

About (Z)-N-pentyloctadec-9-enamide

(Z)-N-pentyloctadec-9-enamide (PubChem CID 139961885) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is (Z)-N-pentyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-pentyloctadec-9-enamide
PubChem CID139961885
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name(Z)-N-pentyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCCC
InChIInChI=1S/C23H45NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(25)24-22-20-6-4-2/h12-13H,3-11,14-22H2,1-2H3,(H,24,25)/b13-12-
InChIKeyAXELDFASZAHKFD-SEYXRHQNSA-N
XLogP7.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 57.33
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

Oleoylethanolamide
CID 5283454
N-Linoleoylethanolamine
CID 5283446
N-Oleoylglycine
CID 6436908
(8Z,11Z,14Z)-N-(2-Hydroxyethyl)-8,11,14-eicosatrienamide
CID 5282272
N-(2-Hydroxyethyl)-7Z,10Z,13Z,16Z-docosatetraenamide
CID 5282273
Stearyl erucamide
CID 6436363
N-Linoleoyl glycine
CID 6433346
Palmitoleoyl Ethanolamide
CID 9835868
alpha-Linolenoyl Ethanolamide
CID 5283449
Arachidonylcyclopropylamide
CID 5311007
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-
CID 66966
Oleyl palmitamide
CID 6436436

Frequently Asked Questions

What is the IUPAC name of (Z)-N-pentyloctadec-9-enamide?
The IUPAC name of (Z)-N-pentyloctadec-9-enamide (CID 139961885) is (Z)-N-pentyloctadec-9-enamide.
What is the SMILES notation for (Z)-N-pentyloctadec-9-enamide?
The canonical SMILES for (Z)-N-pentyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCCCC.
What is the InChIKey of (Z)-N-pentyloctadec-9-enamide?
The InChIKey is AXELDFASZAHKFD-SEYXRHQNSA-N. The full InChI is InChI=1S/C23H45NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(25)24-22-20-6-4-2/h12-13H,3-11,14-22H2,1-2H3,(H,24,25)/b13-12-.
What are the key properties of (Z)-N-pentyloctadec-9-enamide?
(Z)-N-pentyloctadec-9-enamide has a molecular weight of 351.62 g/mol, XLogP of 7.33, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-pentyloctadec-9-enamide is sourced from PubChem (CID 139961885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).