icosanamide

C20H41NO — CID 3016647

IUPACicosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H2,21,22)
InChIKeyOOCSVLHOTKHEFZ-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.51
Rot. Bonds18

About icosanamide

icosanamide (PubChem CID 3016647) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is icosanamide.

Molecular Properties

Compound Nameicosanamide
PubChem CID3016647
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Nameicosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H2,21,22)
InChIKeyOOCSVLHOTKHEFZ-UHFFFAOYSA-N
XLogP6.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of icosanamide?
The IUPAC name of icosanamide (CID 3016647) is icosanamide.
What is the SMILES notation for icosanamide?
The canonical SMILES for icosanamide is CCCCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of icosanamide?
The InChIKey is OOCSVLHOTKHEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H2,21,22).
What are the key properties of icosanamide?
icosanamide has a molecular weight of 311.55 g/mol, XLogP of 6.51, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosanamide is sourced from PubChem (CID 3016647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).