(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

C21H24N2O3 — CID 7928162

IUPAC(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(CC)cc3)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-13-26-18-11-9-17(10-12-18)23-20(24)14-19(21(23)25)22-16-7-5-15(4-2)6-8-16/h5-12,19,22H,3-4,13-14H2,1-2H3/t19-/m1/s1
InChIKeyVEDKUTKWMYQFJL-LJQANCHMSA-N
MW352.43 g/mol
LogP3.78
Rot. Bonds7

About (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 7928162) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID7928162
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(CC)cc3)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-3-13-26-18-11-9-17(10-12-18)23-20(24)14-19(21(23)25)22-16-7-5-15(4-2)6-8-16/h5-12,19,22H,3-4,13-14H2,1-2H3/t19-/m1/s1
InChIKeyVEDKUTKWMYQFJL-LJQANCHMSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.78
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

(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
(3S)-3-(4-methylsulfanylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51659053
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
(3R)-3-(3-chloroanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7410238
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
CID 98395221
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549
3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 3720152
(3S)-1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2242272
1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 138958736

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 7928162) is (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(CC)cc3)C2=O)cc1.
What is the InChIKey of (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is VEDKUTKWMYQFJL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-13-26-18-11-9-17(10-12-18)23-20(24)14-19(21(23)25)22-16-7-5-15(4-2)6-8-16/h5-12,19,22H,3-4,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 352.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7928162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).