4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide

C13H23N3O3 — CID 65301884

IUPAC4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
SMILESCCNC(C)(CCN1C(=O)CC(C)(C)C1=O)C(N)=O
InChIInChI=1S/C13H23N3O3/c1-5-15-13(4,10(14)18)6-7-16-9(17)8-12(2,3)11(16)19/h15H,5-8H2,1-4H3,(H2,14,18)
InChIKeyNHUBSRZKHBWZLI-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.02
Rot. Bonds6

About 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide

4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide (PubChem CID 65301884) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide.

Molecular Properties

Compound Name4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
PubChem CID65301884
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
SMILESCCNC(C)(CCN1C(=O)CC(C)(C)C1=O)C(N)=O
InChIInChI=1S/C13H23N3O3/c1-5-15-13(4,10(14)18)6-7-16-9(17)8-12(2,3)11(16)19/h15H,5-8H2,1-4H3,(H2,14,18)
InChIKeyNHUBSRZKHBWZLI-UHFFFAOYSA-N
XLogP0.02
TPSA92.50 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 ≤ 50.02
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

ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 65301636
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 65301490
1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 79360715
methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate
CID 65301393
1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 106708431
5-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(ethylamino)-2-methylpentanamide
CID 64837222
2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile
CID 65301971
4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
CID 63217659
4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)butanenitrile
CID 65301628
4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide
CID 65301828
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 65301201
1-(2-amino-2-methylpropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 115303861

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide?
The IUPAC name of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide (CID 65301884) is 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide.
What is the SMILES notation for 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide?
The canonical SMILES for 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide is CCNC(C)(CCN1C(=O)CC(C)(C)C1=O)C(N)=O.
What is the InChIKey of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide?
The InChIKey is NHUBSRZKHBWZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-15-13(4,10(14)18)6-7-16-9(17)8-12(2,3)11(16)19/h15H,5-8H2,1-4H3,(H2,14,18).
What are the key properties of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide?
4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide has a molecular weight of 269.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide is sourced from PubChem (CID 65301884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).