4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide

C13H20N2O3 — CID 121327484

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O3/c1-10(2)7-8-14-11(16)4-3-9-15-12(17)5-6-13(15)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyIRBAIWJCYNBSJT-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.85
Rot. Bonds7

About 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide

4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide (PubChem CID 121327484) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
PubChem CID121327484
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N2O3/c1-10(2)7-8-14-11(16)4-3-9-15-12(17)5-6-13(15)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyIRBAIWJCYNBSJT-UHFFFAOYSA-N
XLogP0.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide 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

4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 130219582
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
CID 145076872
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
(2S)-2,6-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoic acid
CID 149461686
N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 58654612
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide
CID 143678940

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide (CID 121327484) is 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide is CC(C)CCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide?
The InChIKey is IRBAIWJCYNBSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)7-8-14-11(16)4-3-9-15-12(17)5-6-13(15)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,16).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide?
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide has a molecular weight of 252.31 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 121327484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).