24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide

C32H57N3O4 — CID 70169924

IUPAC24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide
SMILESCCCC(=O)N(CCCCCCCCCCCCCCCCCCCCCCCC(N)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C32H57N3O4/c1-2-24-30(37)34(35-31(38)26-27-32(35)39)28-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-25-29(33)36/h26-27H,2-25,28H2,1H3,(H2,33,36)
InChIKeyYCFKZBISSFDZSF-UHFFFAOYSA-N
MW547.83 g/mol
LogP7.52
Rot. Bonds27

About 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide

24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide (PubChem CID 70169924) has the molecular formula C32H57N3O4 and a molecular weight of 547.83 g/mol. Its IUPAC name is 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide.

Molecular Properties

Compound Name24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide
PubChem CID70169924
Molecular FormulaC32H57N3O4
Molecular Weight547.83 g/mol
Exact Mass547.43
IUPAC Name24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide
SMILESCCCC(=O)N(CCCCCCCCCCCCCCCCCCCCCCCC(N)=O)N1C(=O)C=CC1=O
InChIInChI=1S/C32H57N3O4/c1-2-24-30(37)34(35-31(38)26-27-32(35)39)28-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-25-29(33)36/h26-27H,2-25,28H2,1H3,(H2,33,36)
InChIKeyYCFKZBISSFDZSF-UHFFFAOYSA-N
XLogP7.52
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.83
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide?
The IUPAC name of 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide (CID 70169924) is 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide.
What is the SMILES notation for 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide?
The canonical SMILES for 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide is CCCC(=O)N(CCCCCCCCCCCCCCCCCCCCCCCC(N)=O)N1C(=O)C=CC1=O.
What is the InChIKey of 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide?
The InChIKey is YCFKZBISSFDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57N3O4/c1-2-24-30(37)34(35-31(38)26-27-32(35)39)28-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-25-29(33)36/h26-27H,2-25,28H2,1H3,(H2,33,36).
What are the key properties of 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide?
24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide has a molecular weight of 547.83 g/mol, XLogP of 7.52, 27 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[butanoyl-(2,5-dioxopyrrol-1-yl)amino]tetracosanamide is sourced from PubChem (CID 70169924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).