3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione

C14H19N3O2 — CID 115377431

IUPAC3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cccc(N(C)C)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-17-13(18)9-12(14(17)19)15-10-6-5-7-11(8-10)16(2)3/h5-8,12,15H,4,9H2,1-3H3
InChIKeyOWIFWJYJWKAMFY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.31
Rot. Bonds4

About 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione

3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione (PubChem CID 115377431) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione
PubChem CID115377431
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2cccc(N(C)C)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-17-13(18)9-12(14(17)19)15-10-6-5-7-11(8-10)16(2)3/h5-8,12,15H,4,9H2,1-3H3
InChIKeyOWIFWJYJWKAMFY-UHFFFAOYSA-N
XLogP1.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 60933482
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
(3S)-1-ethyl-3-[3-(pyrazol-1-ylmethyl)anilino]pyrrolidine-2,5-dione
CID 98419532
3-(4-bromo-3-methylanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411448
(3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione
CID 92537847
4-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]benzene-1,2-dicarbonitrile
CID 107788732
1-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 54867303
1-ethyl-3-(4-methyl-3-nitroanilino)pyrrolidine-2,5-dione
CID 43411357
1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione
CID 63179546
(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7186089
1-ethyl-3-[4-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 47030349
1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43636158

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione (CID 115377431) is 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2cccc(N(C)C)c2)C1=O.
What is the InChIKey of 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione?
The InChIKey is OWIFWJYJWKAMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17-13(18)9-12(14(17)19)15-10-6-5-7-11(8-10)16(2)3/h5-8,12,15H,4,9H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione?
3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 115377431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).