3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione

C11H20N2O3 — CID 114941623

IUPAC3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCOC(C)(C)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-5-16-11(2,3)7-12-8-6-9(14)13(4)10(8)15/h8,12H,5-7H2,1-4H3
InChIKeyILKSJCZBYAIFSD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds5

About 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione

3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 114941623) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID114941623
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCCOC(C)(C)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-5-16-11(2,3)7-12-8-6-9(14)13(4)10(8)15/h8,12H,5-7H2,1-4H3
InChIKeyILKSJCZBYAIFSD-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
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-cyclopentyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrrolidine-2,5-dione
CID 114941620
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione
CID 112589216
N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 114167202
1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione
CID 80526281
ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate
CID 103255113
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione
CID 106285163
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605482
1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione
CID 82942268
3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione
CID 61168805

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione (CID 114941623) is 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione is CCOC(C)(C)CNC1CC(=O)N(C)C1=O.
What is the InChIKey of 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is ILKSJCZBYAIFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-16-11(2,3)7-12-8-6-9(14)13(4)10(8)15/h8,12H,5-7H2,1-4H3.
What are the key properties of 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 114941623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).