2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide

C11H19N3O3 — CID 113408373

IUPAC2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1CC(=O)NC1=O
InChIInChI=1S/C11H19N3O3/c1-4-14(5-2)11(17)7(3)12-8-6-9(15)13-10(8)16/h7-8,12H,4-6H2,1-3H3,(H,13,15,16)
InChIKeyAIYLVQXIYXCYER-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.75
Rot. Bonds5

About 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide

2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide (PubChem CID 113408373) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
PubChem CID113408373
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1CC(=O)NC1=O
InChIInChI=1S/C11H19N3O3/c1-4-14(5-2)11(17)7(3)12-8-6-9(15)13-10(8)16/h7-8,12H,4-6H2,1-3H3,(H,13,15,16)
InChIKeyAIYLVQXIYXCYER-UHFFFAOYSA-N
XLogP-0.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 43637912
N,N-diethyl-2-[(5-oxopyrrolidin-3-yl)amino]propanamide
CID 106188940
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
2-(dimethylamino)-N-(2,5-dioxopyrrolidin-3-yl)acetamide
CID 110479878
N-(2,5-dioxopyrrolidin-3-yl)-2-ethylbutanamide
CID 110461449
3-(pent-1-yn-3-ylamino)pyrrolidine-2,5-dione
CID 106228611
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63011087
2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
CID 43739395
N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
CID 110460593
3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
CID 114616626
N,N-diethyl-2-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561513

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide (CID 113408373) is 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC1CC(=O)NC1=O.
What is the InChIKey of 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide?
The InChIKey is AIYLVQXIYXCYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-14(5-2)11(17)7(3)12-8-6-9(15)13-10(8)16/h7-8,12H,4-6H2,1-3H3,(H,13,15,16).
What are the key properties of 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide?
2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide has a molecular weight of 241.29 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113408373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).