1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

C18H18N2O4 — CID 2856113

IUPAC1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O4/c1-2-24-16-11-7-6-10-14(16)19-17(21)12-15(18(19)22)20(23)13-8-4-3-5-9-13/h3-11,15,23H,2,12H2,1H3
InChIKeyOEYJYVYTFSKKEI-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.61
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (PubChem CID 2856113) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
PubChem CID2856113
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O4/c1-2-24-16-11-7-6-10-14(16)19-17(21)12-15(18(19)22)20(23)13-8-4-3-5-9-13/h3-11,15,23H,2,12H2,1H3
InChIKeyOEYJYVYTFSKKEI-UHFFFAOYSA-N
XLogP2.61
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (CID 2856113) is 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is CCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The InChIKey is OEYJYVYTFSKKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-24-16-11-7-6-10-14(16)19-17(21)12-15(18(19)22)20(23)13-8-4-3-5-9-13/h3-11,15,23H,2,12H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione has a molecular weight of 326.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2856113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).