tetrapentacontanamide

C54H109NO — CID 139682680

IUPACtetrapentacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C54H109NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54(55)56/h2-53H2,1H3,(H2,55,56)
InChIKeyHAGMEGVYTGLGFZ-UHFFFAOYSA-N
MW788.47 g/mol
LogP19.78
Rot. Bonds52

About tetrapentacontanamide

tetrapentacontanamide (PubChem CID 139682680) has the molecular formula C54H109NO and a molecular weight of 788.47 g/mol. Its IUPAC name is tetrapentacontanamide.

Molecular Properties

Compound Nametetrapentacontanamide
PubChem CID139682680
Molecular FormulaC54H109NO
Molecular Weight788.47 g/mol
Exact Mass787.85
IUPAC Nametetrapentacontanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C54H109NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54(55)56/h2-53H2,1H3,(H2,55,56)
InChIKeyHAGMEGVYTGLGFZ-UHFFFAOYSA-N
XLogP19.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds52
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.47
LogP ≤ 519.78
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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Related Compounds

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
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butane;octanamide
CID 87511414
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
dodecanamide;N-methylmethanamine
CID 159337435
acetamide;decanamide;dihydrochloride
CID 141131942
potassium;hexanamide;hydride
CID 173117462
octadecanamide;bis(propan-2-ol)
CID 90014672

Frequently Asked Questions

What is the IUPAC name of tetrapentacontanamide?
The IUPAC name of tetrapentacontanamide (CID 139682680) is tetrapentacontanamide.
What is the SMILES notation for tetrapentacontanamide?
The canonical SMILES for tetrapentacontanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of tetrapentacontanamide?
The InChIKey is HAGMEGVYTGLGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H109NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54(55)56/h2-53H2,1H3,(H2,55,56).
What are the key properties of tetrapentacontanamide?
tetrapentacontanamide has a molecular weight of 788.47 g/mol, XLogP of 19.78, 52 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapentacontanamide is sourced from PubChem (CID 139682680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).