1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione

C14H18N2O2 — CID 43636150

IUPAC1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC(C)c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-16-13(17)9-12(14(16)18)15-10(2)11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3
InChIKeyHLVNAWLHYFNUTL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.48
Rot. Bonds4

About 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione

1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione (PubChem CID 43636150) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
PubChem CID43636150
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC(C)c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-16-13(17)9-12(14(16)18)15-10(2)11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3
InChIKeyHLVNAWLHYFNUTL-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60933603
3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 63011257
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038
1-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358037
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43636029
1-ethyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrrolidine-2,5-dione
CID 60934113
3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 61473514
3-[1-(3-fluorophenyl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54964613
1-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358036
3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411500

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione (CID 43636150) is 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione is CCN1C(=O)CC(NC(C)c2ccccc2)C1=O.
What is the InChIKey of 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione?
The InChIKey is HLVNAWLHYFNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-16-13(17)9-12(14(16)18)15-10(2)11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione?
1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43636150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).