octadec-8-enamide

C18H35NO — CID 57212690

IUPACoctadec-8-enamide
SMILESCCCCCCCCCC=CCCCCCCC(N)=O
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H2,19,20)
InChIKeyRVDPDXRDNDUJHE-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.51
Rot. Bonds15

About octadec-8-enamide

octadec-8-enamide (PubChem CID 57212690) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is octadec-8-enamide.

Molecular Properties

Compound Nameoctadec-8-enamide
PubChem CID57212690
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Nameoctadec-8-enamide
SMILESCCCCCCCCCC=CCCCCCCC(N)=O
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H2,19,20)
InChIKeyRVDPDXRDNDUJHE-UHFFFAOYSA-N
XLogP5.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.51
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

octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
(Z)-octadec-9-enamide;propan-1-ol
CID 174914657
calcium;(Z)-octadec-9-enamide;carbonate
CID 87780196

Frequently Asked Questions

What is the IUPAC name of octadec-8-enamide?
The IUPAC name of octadec-8-enamide (CID 57212690) is octadec-8-enamide.
What is the SMILES notation for octadec-8-enamide?
The canonical SMILES for octadec-8-enamide is CCCCCCCCCC=CCCCCCCC(N)=O.
What is the InChIKey of octadec-8-enamide?
The InChIKey is RVDPDXRDNDUJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H2,19,20).
What are the key properties of octadec-8-enamide?
octadec-8-enamide has a molecular weight of 281.48 g/mol, XLogP of 5.51, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-8-enamide is sourced from PubChem (CID 57212690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).