(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione

C20H22N2O2 — CID 98188012

IUPAC(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O
InChIInChI=1S/C20H22N2O2/c1-4-15-10-5-6-11-16(15)21-17-12-18(23)22(20(17)24)19-13(2)8-7-9-14(19)3/h5-11,17,21H,4,12H2,1-3H3/t17-/m0/s1
InChIKeyUPVLGXQXLHKHLT-KRWDZBQOSA-N
MW322.41 g/mol
LogP3.61
Rot. Bonds4

About (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione

(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione (PubChem CID 98188012) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
PubChem CID98188012
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O
InChIInChI=1S/C20H22N2O2/c1-4-15-10-5-6-11-16(15)21-17-12-18(23)22(20(17)24)19-13(2)8-7-9-14(19)3/h5-11,17,21H,4,12H2,1-3H3/t17-/m0/s1
InChIKeyUPVLGXQXLHKHLT-KRWDZBQOSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.61
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-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51860012
(3S)-1-(2,3-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98187918
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016
(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188367
1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43844879
(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51860019
(3S)-3-(2,3-dichloroanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 51860053
(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 51859892
(3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 98188014
3-(cyclopropylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670680
(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
CID 98368892
(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 98188035

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione (CID 98188012) is (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione is CCc1ccccc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O.
What is the InChIKey of (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
The InChIKey is UPVLGXQXLHKHLT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-15-10-5-6-11-16(15)21-17-12-18(23)22(20(17)24)19-13(2)8-7-9-14(19)3/h5-11,17,21H,4,12H2,1-3H3/t17-/m0/s1.
What are the key properties of (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione?
(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione has a molecular weight of 322.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).