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

C20H20N2O3 — CID 110594520

IUPAC3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(CC)C1=O
InChIInChI=1S/C20H20N2O3/c1-3-22-19(23)17(14-10-6-5-7-11-14)18(20(22)24)21-15-12-8-9-13-16(15)25-4-2/h5-13,21H,3-4H2,1-2H3
InChIKeyQSONAIXZQBVMQS-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.30
Rot. Bonds6

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

3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione (PubChem CID 110594520) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
PubChem CID110594520
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(CC)C1=O
InChIInChI=1S/C20H20N2O3/c1-3-22-19(23)17(14-10-6-5-7-11-14)18(20(22)24)21-15-12-8-9-13-16(15)25-4-2/h5-13,21H,3-4H2,1-2H3
InChIKeyQSONAIXZQBVMQS-UHFFFAOYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.30
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-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586250
3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
CID 110595505
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594949
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586414
3-(2-ethoxyanilino)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585973
3-(2-ethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110587849
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595834
1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110595443
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-(2,5-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110595415
1-[2-(4-chlorophenyl)ethyl]-3-(2-ethoxyanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600321

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione (CID 110594520) is 3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione is CCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(CC)C1=O.
What is the InChIKey of 3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione?
The InChIKey is QSONAIXZQBVMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-22-19(23)17(14-10-6-5-7-11-14)18(20(22)24)21-15-12-8-9-13-16(15)25-4-2/h5-13,21H,3-4H2,1-2H3.
What are the key properties of 3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione?
3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione has a molecular weight of 336.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110594520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).