2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide

C13H23N3O3 — CID 43638073

IUPAC2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide
SMILESCCC(CC)N1C(=O)CC(NCC(=O)N(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-5-9(6-2)16-11(17)7-10(13(16)19)14-8-12(18)15(3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyWHOATHSXDZICHB-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.02
Rot. Bonds6

About 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide

2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide (PubChem CID 43638073) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide
PubChem CID43638073
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide
SMILESCCC(CC)N1C(=O)CC(NCC(=O)N(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-5-9(6-2)16-11(17)7-10(13(16)19)14-8-12(18)15(3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyWHOATHSXDZICHB-UHFFFAOYSA-N
XLogP-0.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide (CID 43638073) is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide is CCC(CC)N1C(=O)CC(NCC(=O)N(C)C)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide?
The InChIKey is WHOATHSXDZICHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-9(6-2)16-11(17)7-10(13(16)19)14-8-12(18)15(3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide?
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide has a molecular weight of 269.34 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 43638073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).