(3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

C21H24N2O2 — CID 51860012

IUPAC(3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C21H24N2O2/c1-5-16-8-6-7-9-17(16)22-18-12-19(24)23(21(18)25)20-14(3)10-13(2)11-15(20)4/h6-11,18,22H,5,12H2,1-4H3/t18-/m1/s1
InChIKeyRYVARZGAXWEFLK-GOSISDBHSA-N
MW336.44 g/mol
LogP3.92
Rot. Bonds4

About (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

(3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 51860012) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
PubChem CID51860012
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCCc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C21H24N2O2/c1-5-16-8-6-7-9-17(16)22-18-12-19(24)23(21(18)25)20-14(3)10-13(2)11-15(20)4/h6-11,18,22H,5,12H2,1-4H3/t18-/m1/s1
InChIKeyRYVARZGAXWEFLK-GOSISDBHSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (CID 51860012) is (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is CCc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O.
What is the InChIKey of (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is RYVARZGAXWEFLK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-5-16-8-6-7-9-17(16)22-18-12-19(24)23(21(18)25)20-14(3)10-13(2)11-15(20)4/h6-11,18,22H,5,12H2,1-4H3/t18-/m1/s1.
What are the key properties of (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
(3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 336.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).