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

C18H18N2O4 — CID 732451

IUPAC(3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C[C@@H](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/t15-/m1/s1
InChIKeyOEYJYVYTFSKKEI-OAHLLOKOSA-N
MW326.35 g/mol
LogP2.61
Rot. Bonds5

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

(3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (PubChem CID 732451) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
PubChem CID732451
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C[C@@H](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/t15-/m1/s1
InChIKeyOEYJYVYTFSKKEI-OAHLLOKOSA-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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Related Compounds

(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
(3S)-3-(N-hydroxyanilino)-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7493754
(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 931022
1-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 6471615
3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 662103
1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 662096
(3R)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione
CID 1182440
(3aR,7aR)-2-(2-ethoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 821551
(3R)-3-[benzyl(methyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 754275
1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844668
2-O-ethyl 4-O-methyl 5-[(3R)-3-(N-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]thiophene-2,4-dicarboxylate
CID 2006765
(2S)-2-acetamido-3-[(3S)-1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 98187269

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (CID 732451) is (3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is CCOc1ccccc1N1C(=O)C[C@@H](N(O)c2ccccc2)C1=O.
What is the InChIKey of (3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The InChIKey is OEYJYVYTFSKKEI-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
(3R)-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 (3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 732451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).