1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione

C19H18N2O3 — CID 16647792

IUPAC1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione
SMILESCCOc1ccc(NC2=CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18N2O3/c1-2-24-16-10-8-15(9-11-16)20-17-12-18(22)21(19(17)23)13-14-6-4-3-5-7-14/h3-12,20H,2,13H2,1H3
InChIKeyGNXDLJVUFYNIEP-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.95
Rot. Bonds6

About 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione

1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione (PubChem CID 16647792) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione
PubChem CID16647792
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione
SMILESCCOc1ccc(NC2=CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18N2O3/c1-2-24-16-10-8-15(9-11-16)20-17-12-18(22)21(19(17)23)13-14-6-4-3-5-7-14/h3-12,20H,2,13H2,1H3
InChIKeyGNXDLJVUFYNIEP-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.95
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

1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione
CID 16647809
1-(2-hydroxyethyl)-3-[4-(3-phenylpropoxy)anilino]pyrrole-2,5-dione
CID 168560103
1-[(4-chlorophenyl)methyl]-3-(4-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594259
3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 16647871
3-(4-ethoxyanilino)-4-phenyl-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110594416
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
7-benzyl-8-(4-ethoxyanilino)-1,3-dimethylpurine-2,6-dione
CID 988150
1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione
CID 168558973
1-benzyl-3-(4-ethoxyphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110546496
2-(4-ethoxyanilino)benzoic acid
CID 15247418
1-(2-hydroxyethyl)-3-(4-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168560112
3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione
CID 16647751

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione (CID 16647792) is 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione is CCOc1ccc(NC2=CC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione?
The InChIKey is GNXDLJVUFYNIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-16-10-8-15(9-11-16)20-17-12-18(22)21(19(17)23)13-14-6-4-3-5-7-14/h3-12,20H,2,13H2,1H3.
What are the key properties of 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione?
1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione has a molecular weight of 322.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 16647792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).