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

C12H21N3O3 — CID 112697490

IUPAC3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C12H21N3O3/c1-4-13-10(16)5-6-14-9-7-11(17)15(8(2)3)12(9)18/h8-9,14H,4-7H2,1-3H3,(H,13,16)
InChIKeyMHVIMMYHBPOFSS-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.36
Rot. Bonds6

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

3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide (PubChem CID 112697490) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide
PubChem CID112697490
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C12H21N3O3/c1-4-13-10(16)5-6-14-9-7-11(17)15(8(2)3)12(9)18/h8-9,14H,4-7H2,1-3H3,(H,13,16)
InChIKeyMHVIMMYHBPOFSS-UHFFFAOYSA-N
XLogP-0.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide?
The IUPAC name of 3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide (CID 112697490) is 3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide is CCNC(=O)CCNC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide?
The InChIKey is MHVIMMYHBPOFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-13-10(16)5-6-14-9-7-11(17)15(8(2)3)12(9)18/h8-9,14H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide?
3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide has a molecular weight of 255.32 g/mol, XLogP of -0.36, 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-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 112697490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).