3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione

C22H26N2O2 — CID 138958718

IUPAC3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(NC2CC(=O)N(c3ccc(CC)cc3)C2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-3-5-6-17-7-11-18(12-8-17)23-20-15-21(25)24(22(20)26)19-13-9-16(4-2)10-14-19/h7-14,20,23H,3-6,15H2,1-2H3
InChIKeyITVJKOCSAXPWTN-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.34
Rot. Bonds7

About 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione

3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione (PubChem CID 138958718) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
PubChem CID138958718
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(NC2CC(=O)N(c3ccc(CC)cc3)C2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-3-5-6-17-7-11-18(12-8-17)23-20-15-21(25)24(22(20)26)19-13-9-16(4-2)10-14-19/h7-14,20,23H,3-6,15H2,1-2H3
InChIKeyITVJKOCSAXPWTN-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.34
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

(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
CID 98395221
1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 138958736
(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7928162
3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 138958737
(3S)-1-(4-butylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]pyrrolidine-2,5-dione
CID 51509723
3-(4-butylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 138958684
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
CID 710161
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860065
(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
CID 766662

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione (CID 138958718) is 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione is CCCCc1ccc(NC2CC(=O)N(c3ccc(CC)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is ITVJKOCSAXPWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-5-6-17-7-11-18(12-8-17)23-20-15-21(25)24(22(20)26)19-13-9-16(4-2)10-14-19/h7-14,20,23H,3-6,15H2,1-2H3.
What are the key properties of 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 350.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 138958718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).