(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione

C24H22N2O3 — CID 98368892

IUPAC(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@H](Nc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C24H22N2O3/c1-16-7-6-8-17(2)23(16)26-22(27)15-21(24(26)28)25-18-11-13-20(14-12-18)29-19-9-4-3-5-10-19/h3-14,21,25H,15H2,1-2H3/t21-/m0/s1
InChIKeyJMWZWCDGYAYOFI-NRFANRHFSA-N
MW386.45 g/mol
LogP4.84
Rot. Bonds5

About (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione

(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione (PubChem CID 98368892) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
PubChem CID98368892
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@H](Nc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C24H22N2O3/c1-16-7-6-8-17(2)23(16)26-22(27)15-21(24(26)28)25-18-11-13-20(14-12-18)29-19-9-4-3-5-10-19/h3-14,21,25H,15H2,1-2H3/t21-/m0/s1
InChIKeyJMWZWCDGYAYOFI-NRFANRHFSA-N
XLogP4.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione (CID 98368892) is (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione is Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is JMWZWCDGYAYOFI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-7-6-8-17(2)23(16)26-22(27)15-21(24(26)28)25-18-11-13-20(14-12-18)29-19-9-4-3-5-10-19/h3-14,21,25H,15H2,1-2H3/t21-/m0/s1.
What are the key properties of (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione?
(3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 386.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-dimethylphenyl)-3-(4-phenoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98368892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).