3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione

C12H22N2O3 — CID 61171064

IUPAC3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
SMILESCCCCOCCNC1CC(=O)N(CC)C1=O
InChIInChI=1S/C12H22N2O3/c1-3-5-7-17-8-6-13-10-9-11(15)14(4-2)12(10)16/h10,13H,3-9H2,1-2H3
InChIKeyJDKRRXRJWROGJR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds8

About 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione

3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione (PubChem CID 61171064) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
PubChem CID61171064
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
SMILESCCCCOCCNC1CC(=O)N(CC)C1=O
InChIInChI=1S/C12H22N2O3/c1-3-5-7-17-8-6-13-10-9-11(15)14(4-2)12(10)16/h10,13H,3-9H2,1-2H3
InChIKeyJDKRRXRJWROGJR-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione (CID 61171064) is 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione is CCCCOCCNC1CC(=O)N(CC)C1=O.
What is the InChIKey of 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione?
The InChIKey is JDKRRXRJWROGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-5-7-17-8-6-13-10-9-11(15)14(4-2)12(10)16/h10,13H,3-9H2,1-2H3.
What are the key properties of 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione?
3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 61171064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).