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

C20H22N2O3 — CID 98188035

IUPAC(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C20H22N2O3/c1-12-9-13(2)19(14(3)10-12)22-18(23)11-16(20(22)24)21-15-7-5-6-8-17(15)25-4/h5-10,16,21H,11H2,1-4H3/t16-/m1/s1
InChIKeyDXNIGCBLMXFTHP-MRXNPFEDSA-N
MW338.41 g/mol
LogP3.36
Rot. Bonds4

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

(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 98188035) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
PubChem CID98188035
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C20H22N2O3/c1-12-9-13(2)19(14(3)10-12)22-18(23)11-16(20(22)24)21-15-7-5-6-8-17(15)25-4/h5-10,16,21H,11H2,1-4H3/t16-/m1/s1
InChIKeyDXNIGCBLMXFTHP-MRXNPFEDSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.36
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

(3S)-3-(2-fluoroanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51860019
(3R)-3-(2-ethylanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 51860012
(3R)-3-(2,4-dimethoxyanilino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 98188014
(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-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione
CID 5174295
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844574
3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 43844516
(3S)-1-(2,6-dimethylphenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188012

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (CID 98188035) is (3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is COc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O.
What is the InChIKey of (3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is DXNIGCBLMXFTHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12-9-13(2)19(14(3)10-12)22-18(23)11-16(20(22)24)21-15-7-5-6-8-17(15)25-4/h5-10,16,21H,11H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 338.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).