2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide

C32H57N3O4 — CID 70169927

IUPAC2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCC(NC(=O)CCCN1C(=O)C=CC1=O)C(N)=O
InChIInChI=1S/C32H57N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(32(33)39)34-29(36)24-22-27-35-30(37)25-26-31(35)38/h25-26,28H,2-24,27H2,1H3,(H2,33,39)(H,34,36)
InChIKeyGTXPQYGOSWRVFW-UHFFFAOYSA-N
MW547.83 g/mol
LogP6.87
Rot. Bonds27

About 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide

2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide (PubChem CID 70169927) has the molecular formula C32H57N3O4 and a molecular weight of 547.83 g/mol. Its IUPAC name is 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide.

Molecular Properties

Compound Name2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide
PubChem CID70169927
Molecular FormulaC32H57N3O4
Molecular Weight547.83 g/mol
Exact Mass547.43
IUPAC Name2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCC(NC(=O)CCCN1C(=O)C=CC1=O)C(N)=O
InChIInChI=1S/C32H57N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(32(33)39)34-29(36)24-22-27-35-30(37)25-26-31(35)38/h25-26,28H,2-24,27H2,1H3,(H2,33,39)(H,34,36)
InChIKeyGTXPQYGOSWRVFW-UHFFFAOYSA-N
XLogP6.87
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.83
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E,2S)-5-[[(2S)-6-amino-1-[[(E,2S)-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-5-oxopent-3-en-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopent-3-en-2-yl]dodecanamide
CID 72712882
N-[(E,2S)-5-[[(2S)-6-amino-1-[[(E,2S)-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-5-oxopent-3-en-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopent-3-en-2-yl]octanamide
CID 72713075
(2S)-2,6-bis(hexanoylamino)-N-prop-2-enoylhexanamide
CID 18639396
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide
CID 20755665
2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide
CID 20778308
2,6-bis(tert-butylamino)-N-[3-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propyl]hexanamide
CID 21042087
6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide
CID 21299471
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxoheptyl]propanamide
CID 21299485
6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
CID 21299504
3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide
CID 21299689
Bis-Maleimide amine
CID 51340937
1-[3-[[5-(Ethylamino)-6-oxooctyl]amino]propyl]pyrrole-2,5-dione
CID 57648844

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide?
The IUPAC name of 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide (CID 70169927) is 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide.
What is the SMILES notation for 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide?
The canonical SMILES for 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide is CCCCCCCCCCCCCCCCCCCCCCC(NC(=O)CCCN1C(=O)C=CC1=O)C(N)=O.
What is the InChIKey of 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide?
The InChIKey is GTXPQYGOSWRVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(32(33)39)34-29(36)24-22-27-35-30(37)25-26-31(35)38/h25-26,28H,2-24,27H2,1H3,(H2,33,39)(H,34,36).
What are the key properties of 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide?
2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide has a molecular weight of 547.83 g/mol, XLogP of 6.87, 27 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]tetracosanamide is sourced from PubChem (CID 70169927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).