1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

C18H18N2O3 — CID 662096

IUPAC1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-12-7-6-8-13(2)17(12)19-16(21)11-15(18(19)22)20(23)14-9-4-3-5-10-14/h3-10,15,23H,11H2,1-2H3
InChIKeyYDGKEUGHLCDTES-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.83
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (PubChem CID 662096) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
PubChem CID662096
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-12-7-6-8-13(2)17(12)19-16(21)11-15(18(19)22)20(23)14-9-4-3-5-10-14/h3-10,15,23H,11H2,1-2H3
InChIKeyYDGKEUGHLCDTES-UHFFFAOYSA-N
XLogP2.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 931022
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
(3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 732451
(3S)-3-(N-hydroxyanilino)-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7493754
1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 24614711
3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 662103
N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
CID 41389974
3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 42950201
2-[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 51568509
2-O-ethyl 4-O-methyl 5-[(3R)-3-(N-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]thiophene-2,4-dicarboxylate
CID 2006765
(3S)-1-(2,6-dimethylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2652727
(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2689028

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (CID 662096) is 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is Cc1cccc(C)c1N1C(=O)CC(N(O)c2ccccc2)C1=O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The InChIKey is YDGKEUGHLCDTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-7-6-8-13(2)17(12)19-16(21)11-15(18(19)22)20(23)14-9-4-3-5-10-14/h3-10,15,23H,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione has a molecular weight of 310.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 662096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).