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

C13H23N3O3 — CID 106275866

IUPAC3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCCN1C(=O)CC(NCC(C)(C)C(=O)NC)C1=O
InChIInChI=1S/C13H23N3O3/c1-5-6-16-10(17)7-9(11(16)18)15-8-13(2,3)12(19)14-4/h9,15H,5-8H2,1-4H3,(H,14,19)
InChIKeyCUZVDQQYPNVVTD-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.11
Rot. Bonds6

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

3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106275866) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106275866
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCCN1C(=O)CC(NCC(C)(C)C(=O)NC)C1=O
InChIInChI=1S/C13H23N3O3/c1-5-6-16-10(17)7-9(11(16)18)15-8-13(2,3)12(19)14-4/h9,15H,5-8H2,1-4H3,(H,14,19)
InChIKeyCUZVDQQYPNVVTD-UHFFFAOYSA-N
XLogP-0.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.11
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

N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 114167202
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione
CID 61168805
methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
CID 43636164
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83211649
3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 113409809
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
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-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide
CID 79394599
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,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide (CID 106275866) is 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide is CCCN1C(=O)CC(NCC(C)(C)C(=O)NC)C1=O.
What is the InChIKey of 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is CUZVDQQYPNVVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-6-16-10(17)7-9(11(16)18)15-8-13(2,3)12(19)14-4/h9,15H,5-8H2,1-4H3,(H,14,19).
What are the key properties of 3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide?
3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 269.34 g/mol, XLogP of -0.11, 6 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,2,2-trimethylpropanamide is sourced from PubChem (CID 106275866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).