(Z)-N-butyloctadec-9-enamide

C22H43NO — CID 6436496

IUPAC(Z)-N-butyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCC
InChIInChI=1S/C22H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)23-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3,(H,23,24)/b13-12-
InChIKeyWLUWZVUXQSJMCW-SEYXRHQNSA-N
MW337.59 g/mol
LogP6.94
Rot. Bonds18

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

(Z)-N-butyloctadec-9-enamide (PubChem CID 6436496) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is (Z)-N-butyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-butyloctadec-9-enamide
PubChem CID6436496
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name(Z)-N-butyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCCC
InChIInChI=1S/C22H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)23-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3,(H,23,24)/b13-12-
InChIKeyWLUWZVUXQSJMCW-SEYXRHQNSA-N
XLogP6.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.94
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

N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-[18-[2-(octadec-9-enoylamino)ethylamino]-18-oxooctadec-9-enyl]docos-13-enamide
CID 123913182
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyloctadec-9-enamide?
The IUPAC name of (Z)-N-butyloctadec-9-enamide (CID 6436496) is (Z)-N-butyloctadec-9-enamide.
What is the SMILES notation for (Z)-N-butyloctadec-9-enamide?
The canonical SMILES for (Z)-N-butyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCCC.
What is the InChIKey of (Z)-N-butyloctadec-9-enamide?
The InChIKey is WLUWZVUXQSJMCW-SEYXRHQNSA-N. The full InChI is InChI=1S/C22H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)23-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3,(H,23,24)/b13-12-.
What are the key properties of (Z)-N-butyloctadec-9-enamide?
(Z)-N-butyloctadec-9-enamide has a molecular weight of 337.59 g/mol, XLogP of 6.94, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyloctadec-9-enamide is sourced from PubChem (CID 6436496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).