3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide

C12H21N3O3 — CID 113409809

IUPAC3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide
SMILESCCCN1C(=O)CC(NCCC(=O)NCC)C1=O
InChIInChI=1S/C12H21N3O3/c1-3-7-15-11(17)8-9(12(15)18)14-6-5-10(16)13-4-2/h9,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyYRWXRZRXXIPBFK-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.36
Rot. Bonds7

About 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide

3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide (PubChem CID 113409809) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide
PubChem CID113409809
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide
SMILESCCCN1C(=O)CC(NCCC(=O)NCC)C1=O
InChIInChI=1S/C12H21N3O3/c1-3-7-15-11(17)8-9(12(15)18)14-6-5-10(16)13-4-2/h9,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyYRWXRZRXXIPBFK-UHFFFAOYSA-N
XLogP-0.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.36
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-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 112697490
N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide
CID 79394599
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83211649
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
CID 43636164
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60923821
N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 126550295
3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide
CID 106275866
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716
3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 54926953

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide?
The IUPAC name of 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide (CID 113409809) is 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide is CCCN1C(=O)CC(NCCC(=O)NCC)C1=O.
What is the InChIKey of 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide?
The InChIKey is YRWXRZRXXIPBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-7-15-11(17)8-9(12(15)18)14-6-5-10(16)13-4-2/h9,14H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide?
3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide has a molecular weight of 255.32 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 113409809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).