octadec-9-enamide

C36H70N2O2 — CID 75990485

IUPACoctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(N)=O.CCCCCCCCC=CCCCCCCCC(N)=O
InChIInChI=1S/2C18H35NO/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2*9-10H,2-8,11-17H2,1H3,(H2,19,20)
InChIKeyQPUQNFRDMXWYKM-UHFFFAOYSA-N
MW562.97 g/mol
LogP11.02
Rot. Bonds30

About octadec-9-enamide

octadec-9-enamide (PubChem CID 75990485) has the molecular formula C36H70N2O2 and a molecular weight of 562.97 g/mol. Its IUPAC name is octadec-9-enamide.

Molecular Properties

Compound Nameoctadec-9-enamide
PubChem CID75990485
Molecular FormulaC36H70N2O2
Molecular Weight562.97 g/mol
Exact Mass562.54
IUPAC Nameoctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(N)=O.CCCCCCCCC=CCCCCCCCC(N)=O
InChIInChI=1S/2C18H35NO/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2*9-10H,2-8,11-17H2,1H3,(H2,19,20)
InChIKeyQPUQNFRDMXWYKM-UHFFFAOYSA-N
XLogP11.02
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.97
LogP ≤ 511.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(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-9-enamide?
The IUPAC name of octadec-9-enamide (CID 75990485) is octadec-9-enamide.
What is the SMILES notation for octadec-9-enamide?
The canonical SMILES for octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(N)=O.CCCCCCCCC=CCCCCCCCC(N)=O.
What is the InChIKey of octadec-9-enamide?
The InChIKey is QPUQNFRDMXWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H35NO/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2*9-10H,2-8,11-17H2,1H3,(H2,19,20).
What are the key properties of octadec-9-enamide?
octadec-9-enamide has a molecular weight of 562.97 g/mol, XLogP of 11.02, 30 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-9-enamide is sourced from PubChem (CID 75990485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).