2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide

C12H21N3O3 — CID 54950819

IUPAC2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide
SMILESCCC(C)N1C(=O)CC(NC(C)C(=O)NC)C1=O
InChIInChI=1S/C12H21N3O3/c1-5-7(2)15-10(16)6-9(12(15)18)14-8(3)11(17)13-4/h7-9,14H,5-6H2,1-4H3,(H,13,17)
InChIKeyGEGFUJSUYJHKNP-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.36
Rot. Bonds5

About 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide

2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide (PubChem CID 54950819) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide
PubChem CID54950819
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide
SMILESCCC(C)N1C(=O)CC(NC(C)C(=O)NC)C1=O
InChIInChI=1S/C12H21N3O3/c1-5-7(2)15-10(16)6-9(12(15)18)14-8(3)11(17)13-4/h7-9,14H,5-6H2,1-4H3,(H,13,17)
InChIKeyGEGFUJSUYJHKNP-UHFFFAOYSA-N
XLogP-0.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

methyl 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propanoate
CID 54960207
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-ethylacetamide
CID 43638316
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638681
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 60933145
1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 61366170
1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
CID 83014747
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637941
1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 61192882
1-butan-2-yl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 62117125
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 61469465

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide (CID 54950819) is 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide is CCC(C)N1C(=O)CC(NC(C)C(=O)NC)C1=O.
What is the InChIKey of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide?
The InChIKey is GEGFUJSUYJHKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-5-7(2)15-10(16)6-9(12(15)18)14-8(3)11(17)13-4/h7-9,14H,5-6H2,1-4H3,(H,13,17).
What are the key properties of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide?
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide has a molecular weight of 255.32 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 54950819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).