3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione

C17H24N2O2 — CID 43636391

IUPAC3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-10-19-15(20)11-14(16(19)21)18-13-8-6-12(7-9-13)17(2,3)4/h6-9,14,18H,5,10-11H2,1-4H3
InChIKeyGTXCHVPJWAJDIJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.93
Rot. Bonds4

About 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione

3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione (PubChem CID 43636391) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione
PubChem CID43636391
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-10-19-15(20)11-14(16(19)21)18-13-8-6-12(7-9-13)17(2,3)4/h6-9,14,18H,5,10-11H2,1-4H3
InChIKeyGTXCHVPJWAJDIJ-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.93
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-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
CID 62809172
(3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione
CID 92537847
3-(4-methyl-3-nitroanilino)-1-propylpyrrolidine-2,5-dione
CID 43636508
(3S)-1-butyl-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione
CID 7366431
1-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 54867303
1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione
CID 63179546
(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 51509569
(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7186089
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
3-(5-bromo-2-chloroanilino)-1-propylpyrrolidine-2,5-dione
CID 62914482
3-(2,5-difluoro-4-methylanilino)-1-propylpyrrolidine-2,5-dione
CID 103585414
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione (CID 43636391) is 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(Nc2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is GTXCHVPJWAJDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-10-19-15(20)11-14(16(19)21)18-13-8-6-12(7-9-13)17(2,3)4/h6-9,14,18H,5,10-11H2,1-4H3.
What are the key properties of 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione?
3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).