3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide

C14H23N3O3 — CID 60925606

IUPAC3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C14H23N3O3/c1-3-16(4-2)12(18)7-8-15-11-9-13(19)17(14(11)20)10-5-6-10/h10-11,15H,3-9H2,1-2H3
InChIKeySBUWWOYVGZSFKS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.12
Rot. Bonds7

About 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide

3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide (PubChem CID 60925606) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
PubChem CID60925606
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C14H23N3O3/c1-3-16(4-2)12(18)7-8-15-11-9-13(19)17(14(11)20)10-5-6-10/h10-11,15H,3-9H2,1-2H3
InChIKeySBUWWOYVGZSFKS-UHFFFAOYSA-N
XLogP0.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43636147
2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide
CID 43636850
1-cyclopentyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43637333
1-cyclopropyl-3-(2-methylsulfonylethylamino)pyrrolidine-2,5-dione
CID 54934783
3-(butylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 43637456
1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
1-cyclohexyl-3-[2-[ethyl(methyl)amino]ethylamino]pyrrolidine-2,5-dione
CID 62635609
tert-butyl N-[3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate
CID 104932992
1-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione
CID 115567309
1-cyclopropyl-3-(2-ethoxypropylamino)pyrrolidine-2,5-dione
CID 113477226
1-cyclopropyl-3-(5,5,5-trifluoropentylamino)pyrrolidine-2,5-dione
CID 115517814
1-cyclopentyl-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrrolidine-2,5-dione
CID 62845376

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide (CID 60925606) is 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide?
The InChIKey is SBUWWOYVGZSFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-16(4-2)12(18)7-8-15-11-9-13(19)17(14(11)20)10-5-6-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide?
3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 60925606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).