1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione

C16H22N2O2 — CID 43638139

IUPAC1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-12(2)18-15(19)11-14(16(18)20)17-10-9-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3
InChIKeyICIDPRFKLLJZKZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.74
Rot. Bonds6

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

1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione (PubChem CID 43638139) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
PubChem CID43638139
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-12(2)18-15(19)11-14(16(18)20)17-10-9-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3
InChIKeyICIDPRFKLLJZKZ-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.74
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

1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 60914432
1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione
CID 80682213
3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636840
1-butan-2-yl-3-(2-cyclopentylethylamino)pyrrolidine-2,5-dione
CID 54932695
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
CID 107851903
3-[(2-ethylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 64681148
1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
CID 62991310
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-ethylacetamide
CID 43638316
1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione
CID 63827659
1-propan-2-yl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43636523
1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62997074

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione (CID 43638139) is 1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NCCc2ccccc2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione?
The InChIKey is ICIDPRFKLLJZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-12(2)18-15(19)11-14(16(18)20)17-10-9-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43638139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).