3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione

C16H23N3O2 — CID 3135049

IUPAC3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCCN(CC)CCNC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-3-18(4-2)11-10-17-14-12-15(20)19(16(14)21)13-8-6-5-7-9-13/h5-9,14,17H,3-4,10-12H2,1-2H3
InChIKeyQVEZEGKCCOAQOK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.25
Rot. Bonds7

About 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione

3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 3135049) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID3135049
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCCN(CC)CCNC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-3-18(4-2)11-10-17-14-12-15(20)19(16(14)21)13-8-6-5-7-9-13/h5-9,14,17H,3-4,10-12H2,1-2H3
InChIKeyQVEZEGKCCOAQOK-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-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

1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829
1-phenyl-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
CID 61459850
1-cyclopropyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43636147
1-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrrolidine-2,5-dione
CID 106427348
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
CID 61325731
1-cyclopentyl-3-[2-(diethylamino)ethylamino]pyrrolidine-2,5-dione
CID 43637333
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83142541

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione (CID 3135049) is 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione is CCN(CC)CCNC1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is QVEZEGKCCOAQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-18(4-2)11-10-17-14-12-15(20)19(16(14)21)13-8-6-5-7-9-13/h5-9,14,17H,3-4,10-12H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione?
3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 3135049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).