(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione

C19H20N2O3 — CID 98188169

IUPAC(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C[C@@H](Nc2cccc(C)c2)C1=O
InChIInChI=1S/C19H20N2O3/c1-3-24-17-10-5-4-9-16(17)21-18(22)12-15(19(21)23)20-14-8-6-7-13(2)11-14/h4-11,15,20H,3,12H2,1-2H3/t15-/m1/s1
InChIKeyGMMDCZPMSKCBHU-OAHLLOKOSA-N
MW324.38 g/mol
LogP3.14
Rot. Bonds5

About (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione

(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione (PubChem CID 98188169) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
PubChem CID98188169
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C[C@@H](Nc2cccc(C)c2)C1=O
InChIInChI=1S/C19H20N2O3/c1-3-24-17-10-5-4-9-16(17)21-18(22)12-15(19(21)23)20-14-8-6-7-13(2)11-14/h4-11,15,20H,3,12H2,1-2H3/t15-/m1/s1
InChIKeyGMMDCZPMSKCBHU-OAHLLOKOSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.14
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 (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione (CID 98188169) is (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione is CCOc1ccccc1N1C(=O)C[C@@H](Nc2cccc(C)c2)C1=O.
What is the InChIKey of (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is GMMDCZPMSKCBHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-24-17-10-5-4-9-16(17)21-18(22)12-15(19(21)23)20-14-8-6-7-13(2)11-14/h4-11,15,20H,3,12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione?
(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).