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

C20H22N2O3 — CID 51860069

IUPAC(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(CC)cc2)C1=O
InChIInChI=1S/C20H22N2O3/c1-3-14-9-11-15(12-10-14)22-19(23)13-17(20(22)24)21-16-7-5-6-8-18(16)25-4-2/h5-12,17,21H,3-4,13H2,1-2H3/t17-/m0/s1
InChIKeyPRHGUUFELDOJGU-KRWDZBQOSA-N
MW338.41 g/mol
LogP3.39
Rot. Bonds6

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

(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione (PubChem CID 51860069) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
PubChem CID51860069
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(CC)cc2)C1=O
InChIInChI=1S/C20H22N2O3/c1-3-14-9-11-15(12-10-14)22-19(23)13-17(20(22)24)21-16-7-5-6-8-18(16)25-4-2/h5-12,17,21H,3-4,13H2,1-2H3/t17-/m0/s1
InChIKeyPRHGUUFELDOJGU-KRWDZBQOSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.39
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)-1-(4-chlorophenyl)-3-(2-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860298
3-(2-ethoxyanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 43844529
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
(3R)-3-(2-ethoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860106
(3R)-3-(2-ethoxyanilino)-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 51859878
3-(2-ethoxyanilino)-1-ethylpyrrolidine-2,5-dione
CID 43411500
(3R)-3-(2,3-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188111
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123
1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844668
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
[2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate
CID 98554295

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione (CID 51860069) is (3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione is CCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(CC)cc2)C1=O.
What is the InChIKey of (3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is PRHGUUFELDOJGU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-14-9-11-15(12-10-14)22-19(23)13-17(20(22)24)21-16-7-5-6-8-18(16)25-4-2/h5-12,17,21H,3-4,13H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione?
(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 338.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).