(E)-icos-11-enamide

C20H39NO — CID 5365373

IUPAC(E)-icos-11-enamide
SMILESCCCCCCCC/C=C/CCCCCCCCCC(N)=O
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H2,21,22)/b10-9+
InChIKeyLBHQTVBKPMHICN-MDZDMXLPSA-N
MW309.54 g/mol
LogP6.29
Rot. Bonds17

About (E)-icos-11-enamide

(E)-icos-11-enamide (PubChem CID 5365373) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is (E)-icos-11-enamide.

Molecular Properties

Compound Name(E)-icos-11-enamide
PubChem CID5365373
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name(E)-icos-11-enamide
SMILESCCCCCCCC/C=C/CCCCCCCCCC(N)=O
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H2,21,22)/b10-9+
InChIKeyLBHQTVBKPMHICN-MDZDMXLPSA-N
XLogP6.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.29
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
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 (E)-icos-11-enamide?
The IUPAC name of (E)-icos-11-enamide (CID 5365373) is (E)-icos-11-enamide.
What is the SMILES notation for (E)-icos-11-enamide?
The canonical SMILES for (E)-icos-11-enamide is CCCCCCCC/C=C/CCCCCCCCCC(N)=O.
What is the InChIKey of (E)-icos-11-enamide?
The InChIKey is LBHQTVBKPMHICN-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H2,21,22)/b10-9+.
What are the key properties of (E)-icos-11-enamide?
(E)-icos-11-enamide has a molecular weight of 309.54 g/mol, XLogP of 6.29, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-icos-11-enamide is sourced from PubChem (CID 5365373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).