3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione

C17H24N2O2 — CID 43637995

IUPAC3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCc1cccc(NC2CC(=O)N(C(CC)CC)C2=O)c1
InChIInChI=1S/C17H24N2O2/c1-4-12-8-7-9-13(10-12)18-15-11-16(20)19(17(15)21)14(5-2)6-3/h7-10,14-15,18H,4-6,11H2,1-3H3
InChIKeyJILJDQFZEBSCTA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.98
Rot. Bonds6

About 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione

3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 43637995) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID43637995
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCc1cccc(NC2CC(=O)N(C(CC)CC)C2=O)c1
InChIInChI=1S/C17H24N2O2/c1-4-12-8-7-9-13(10-12)18-15-11-16(20)19(17(15)21)14(5-2)6-3/h7-10,14-15,18H,4-6,11H2,1-3H3
InChIKeyJILJDQFZEBSCTA-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.98
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

3-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]benzonitrile
CID 43637969
(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
CID 766662
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 103478771
3-(3-methylsulfanylanilino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636337
1-propan-2-yl-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 43636390
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637941
(3S)-1-ethyl-3-[3-(pyrazol-1-ylmethyl)anilino]pyrrolidine-2,5-dione
CID 98419532
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione (CID 43637995) is 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione is CCc1cccc(NC2CC(=O)N(C(CC)CC)C2=O)c1.
What is the InChIKey of 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is JILJDQFZEBSCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-12-8-7-9-13(10-12)18-15-11-16(20)19(17(15)21)14(5-2)6-3/h7-10,14-15,18H,4-6,11H2,1-3H3.
What are the key properties of 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione?
3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43637995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).