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

C25H22N2O4 — CID 110595834

IUPAC3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2OC)C1=O
InChIInChI=1S/C25H22N2O4/c1-3-31-20-15-9-7-13-18(20)26-23-22(17-11-5-4-6-12-17)24(28)27(25(23)29)19-14-8-10-16-21(19)30-2/h4-16,26H,3H2,1-2H3
InChIKeyQYAKJOMXQQXBJS-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.49
Rot. Bonds7

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

3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110595834) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110595834
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2OC)C1=O
InChIInChI=1S/C25H22N2O4/c1-3-31-20-15-9-7-13-18(20)26-23-22(17-11-5-4-6-12-17)24(28)27(25(23)29)19-14-8-10-16-21(19)30-2/h4-16,26H,3H2,1-2H3
InChIKeyQYAKJOMXQQXBJS-UHFFFAOYSA-N
XLogP4.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593653
3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
CID 110595505
1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110595443
3-(3,4-dimethylphenyl)-4-(2-ethoxyanilino)-1-(2-ethoxyphenyl)pyrrole-2,5-dione
CID 110589335
1-(2,5-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110595415
3-anilino-1-(2-ethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593309
3-(4-ethylanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595841
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
1-(3-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(2-ethoxyanilino)pyrrole-2,5-dione
CID 110599704
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594949

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione (CID 110595834) is 3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione is CCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2OC)C1=O.
What is the InChIKey of 3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is QYAKJOMXQQXBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-3-31-20-15-9-7-13-18(20)26-23-22(17-11-5-4-6-12-17)24(28)27(25(23)29)19-14-8-10-16-21(19)30-2/h4-16,26H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione?
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 414.46 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110595834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).