4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide

C11H17N3O3 — CID 70980840

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide
SMILESCNCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O3/c1-12-6-7-13-9(15)3-2-8-14-10(16)4-5-11(14)17/h4-5,12H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyKFVWCBXIDJSXPX-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.97
Rot. Bonds7

About 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide

4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide (PubChem CID 70980840) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide
PubChem CID70980840
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide
SMILESCNCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O3/c1-12-6-7-13-9(15)3-2-8-14-10(16)4-5-11(14)17/h4-5,12H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyKFVWCBXIDJSXPX-UHFFFAOYSA-N
XLogP-0.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.97
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 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]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

Maleimidoethylacetamide
CID 17867096
Maleimide-(CH2)5-CONH-CH2CH2NH2
CID 85794122
4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide
CID 20659749
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
CID 89428211
(E)-N,N'-dibutylbut-2-enediamide
CID 5775050
1-[3-[2-(2-Aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione
CID 91552481
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium
CID 6434679
N,N'-dibutylbut-2-enediamide
CID 315713
6-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexanamide
CID 4568604
1-[3-(Ethylamino)propyl]pyrrole-2,5-dione
CID 12858660
N-[2-[bis[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethyl]amino]ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 15755512
6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N-ethylhexanamide
CID 18724283

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide (CID 70980840) is 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide is CNCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide?
The InChIKey is KFVWCBXIDJSXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-12-6-7-13-9(15)3-2-8-14-10(16)4-5-11(14)17/h4-5,12H,2-3,6-8H2,1H3,(H,13,15).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide?
4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide has a molecular weight of 239.27 g/mol, XLogP of -0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]butanamide is sourced from PubChem (CID 70980840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).