3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione

C13H16N2O2 — CID 63011087

IUPAC3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(Cc1ccccc1)NC1CC(=O)NC1=O
InChIInChI=1S/C13H16N2O2/c1-9(7-10-5-3-2-4-6-10)14-11-8-12(16)15-13(11)17/h2-6,9,11,14H,7-8H2,1H3,(H,15,16,17)
InChIKeyPLJYGPNCLWQMGR-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.62
Rot. Bonds4

About 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione

3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 63011087) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
PubChem CID63011087
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(Cc1ccccc1)NC1CC(=O)NC1=O
InChIInChI=1S/C13H16N2O2/c1-9(7-10-5-3-2-4-6-10)14-11-8-12(16)15-13(11)17/h2-6,9,11,14H,7-8H2,1H3,(H,15,16,17)
InChIKeyPLJYGPNCLWQMGR-UHFFFAOYSA-N
XLogP0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione
CID 54866793
3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63291448
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81379800
3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 63011257
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81348257
3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81352768
3-(1-thiophen-3-ylethylamino)pyrrolidine-2,5-dione
CID 62840128
3-(3-phenoxypropylamino)pyrrolidine-2,5-dione
CID 62380034
3-[3-(N-methylanilino)propylamino]pyrrolidine-2,5-dione
CID 43637779
2-[(2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 43637912
3-[1-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 66244482

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione (CID 63011087) is 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione is CC(Cc1ccccc1)NC1CC(=O)NC1=O.
What is the InChIKey of 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is PLJYGPNCLWQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(7-10-5-3-2-4-6-10)14-11-8-12(16)15-13(11)17/h2-6,9,11,14H,7-8H2,1H3,(H,15,16,17).
What are the key properties of 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione?
3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 63011087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).