3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione

C11H18N2O3 — CID 43842649

IUPAC3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(NC(C)(C)C)C1=O
InChIInChI=1S/C11H18N2O3/c1-11(2,3)12-8-7-9(14)13(10(8)15)5-6-16-4/h7,12H,5-6H2,1-4H3
InChIKeyCHJHOHNODDLJRQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.27
Rot. Bonds4

About 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione

3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione (PubChem CID 43842649) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione
PubChem CID43842649
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(NC(C)(C)C)C1=O
InChIInChI=1S/C11H18N2O3/c1-11(2,3)12-8-7-9(14)13(10(8)15)5-6-16-4/h7,12H,5-6H2,1-4H3
InChIKeyCHJHOHNODDLJRQ-UHFFFAOYSA-N
XLogP0.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-3-(2-methoxyethylamino)pyrrole-2,5-dione
CID 43842652
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
2-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)prop-2-enamide
CID 58331311
3-(Tert-butylamino)-1-methylpyrrole-2,5-dione
CID 90305557
3-[Bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one
CID 91412316
2-[2-Methoxyethyl(methyl)amino]but-2-enamide
CID 153728630
3-[3-(Deuteriomethylselanyl)morpholin-4-yl]pyrrole-2,5-dione
CID 162720824
2-(dimethylamino)-N-(2-methoxyethyl)but-2-enamide
CID 172614114
3-(2-Methylselanylmorpholin-4-yl)pyrrole-2,5-dione
CID 175213617
2-[(2-Morpholin-4-ylacetyl)amino]but-2-enamide
CID 176272202
3-(2-Hydroxyethylamino)-1-methylpyrrole-2,5-dione
CID 4512327
1-Ethyl-3-(2-hydroxyethylamino)pyrrole-2,5-dione
CID 4512553

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione (CID 43842649) is 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione is COCCN1C(=O)C=C(NC(C)(C)C)C1=O.
What is the InChIKey of 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
The InChIKey is CHJHOHNODDLJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)12-8-7-9(14)13(10(8)15)5-6-16-4/h7,12H,5-6H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione?
3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-(2-methoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 43842649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).