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

C16H22N2O2 — CID 63011257

IUPAC3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)Cc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-9-18-15(19)11-14(16(18)20)17-12(2)10-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3
InChIKeyQKFYIRKLXXMXAJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.74
Rot. Bonds6

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

3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione (PubChem CID 63011257) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione
PubChem CID63011257
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC(C)Cc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-9-18-15(19)11-14(16(18)20)17-12(2)10-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3
InChIKeyQKFYIRKLXXMXAJ-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'}

Analyze 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 43636728
3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60933603
3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 54959119
1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
CID 43636150
3-[1-(5-methylthiophen-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 61473514
3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63011087
1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
CID 43636248
3-[1-(oxolan-2-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 43636786
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione
CID 43636391
(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 51509569

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione (CID 63011257) is 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NC(C)Cc2ccccc2)C1=O.
What is the InChIKey of 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is QKFYIRKLXXMXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-18-15(19)11-14(16(18)20)17-12(2)10-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3.
What are the key properties of 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione?
3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-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 3-(1-phenylpropan-2-ylamino)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 63011257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).