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

C19H20N2O4 — CID 2859218

IUPAC3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C19H20N2O4/c1-2-12-25-17-11-7-6-10-15(17)20-18(22)13-16(19(20)23)21(24)14-8-4-3-5-9-14/h3-11,16,24H,2,12-13H2,1H3
InChIKeyODOAOKFKVHVLRR-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.00
Rot. Bonds6

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

3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2859218) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2859218
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C19H20N2O4/c1-2-12-25-17-11-7-6-10-15(17)20-18(22)13-16(19(20)23)21(24)14-8-4-3-5-9-14/h3-11,16,24H,2,12-13H2,1H3
InChIKeyODOAOKFKVHVLRR-UHFFFAOYSA-N
XLogP3.00
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.00
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 3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione (CID 2859218) is 3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is ODOAOKFKVHVLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-12-25-17-11-7-6-10-15(17)20-18(22)13-16(19(20)23)21(24)14-8-4-3-5-9-14/h3-11,16,24H,2,12-13H2,1H3.
What are the key properties of 3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 340.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2859218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).