1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione

C26H24N2O3 — CID 110595443

IUPAC1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(c2cccc(C)c2C)C1=O
InChIInChI=1S/C26H24N2O3/c1-4-31-22-16-9-8-14-20(22)27-24-23(19-12-6-5-7-13-19)25(29)28(26(24)30)21-15-10-11-17(2)18(21)3/h5-16,27H,4H2,1-3H3
InChIKeyZDUUTUZSFSNLDC-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.10
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione

1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110595443) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110595443
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(c2cccc(C)c2C)C1=O
InChIInChI=1S/C26H24N2O3/c1-4-31-22-16-9-8-14-20(22)27-24-23(19-12-6-5-7-13-19)25(29)28(26(24)30)21-15-10-11-17(2)18(21)3/h5-16,27H,4H2,1-3H3
InChIKeyZDUUTUZSFSNLDC-UHFFFAOYSA-N
XLogP5.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.10
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

3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595834
1-(2,5-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110595415
1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2-ethoxyanilino)pyrrole-2,5-dione
CID 110599704
3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
CID 110595505
3-(3,4-dimethylphenyl)-4-(2-ethoxyanilino)-1-(2-ethoxyphenyl)pyrrole-2,5-dione
CID 110589335
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593653
3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110594520
3-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
CID 110599881
3-(2-ethoxyanilino)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110594070
3-(4-chlorophenyl)-1-(2,3-dimethylphenyl)-4-(3-ethoxyanilino)pyrrole-2,5-dione
CID 110599850
3-(2-ethoxyanilino)-1-(2-fluorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585525
1-(3,5-dimethylphenyl)-3-(2-ethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586684

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione (CID 110595443) is 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione is CCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(c2cccc(C)c2C)C1=O.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is ZDUUTUZSFSNLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-4-31-22-16-9-8-14-20(22)27-24-23(19-12-6-5-7-13-19)25(29)28(26(24)30)21-15-10-11-17(2)18(21)3/h5-16,27H,4H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione?
1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 412.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).