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

C12H19N3O3 — CID 43636850

IUPAC2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C12H19N3O3/c1-2-5-13-10(16)7-14-9-6-11(17)15(12(9)18)8-3-4-8/h8-9,14H,2-7H2,1H3,(H,13,16)
InChIKeyXVSBPFKXUSHUAQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.61
Rot. Bonds6

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

2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide (PubChem CID 43636850) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide
PubChem CID43636850
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C12H19N3O3/c1-2-5-13-10(16)7-14-9-6-11(17)15(12(9)18)8-3-4-8/h8-9,14H,2-7H2,1H3,(H,13,16)
InChIKeyXVSBPFKXUSHUAQ-UHFFFAOYSA-N
XLogP-0.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.61
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

3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
CID 60925606
1-cyclopropyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43636147
3-(butylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 43637456
1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide
CID 43637319
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-methylsulfonylethylamino)pyrrolidine-2,5-dione
CID 54934783
1-cyclopentyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43637333
1-cyclopropyl-3-(pentan-3-ylamino)pyrrolidine-2,5-dione
CID 43636111
2-[(4-propan-2-ylcyclohexyl)amino]-N-propylacetamide
CID 62703314
1-cyclopropyl-3-(2-ethoxypropylamino)pyrrolidine-2,5-dione
CID 113477226

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide (CID 43636850) is 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide is CCCNC(=O)CNC1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide?
The InChIKey is XVSBPFKXUSHUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-5-13-10(16)7-14-9-6-11(17)15(12(9)18)8-3-4-8/h8-9,14H,2-7H2,1H3,(H,13,16).
What are the key properties of 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide?
2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide has a molecular weight of 253.30 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N-propylacetamide is sourced from PubChem (CID 43636850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).