1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

C20H22N2O4 — CID 662136

IUPAC1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-2-3-13-26-17-11-9-15(10-12-17)21-19(23)14-18(20(21)24)22(25)16-7-5-4-6-8-16/h4-12,18,25H,2-3,13-14H2,1H3
InChIKeyJTAWVMPSDYVHGU-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (PubChem CID 662136) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
PubChem CID662136
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-2-3-13-26-17-11-9-15(10-12-17)21-19(23)14-18(20(21)24)22(25)16-7-5-4-6-8-16/h4-12,18,25H,2-3,13-14H2,1H3
InChIKeyJTAWVMPSDYVHGU-UHFFFAOYSA-N
XLogP3.39
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Ethoxy-phenyl)-3-(hydroxy-phenyl-amino)-pyrrolidine-2,5-dione
CID 2856113
2,5-Pyrrolidinedione, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-
CID 2732613
3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
CID 2859218
N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 2914790
3-[(4-Methoxyphenyl)amino]-1-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 2972083
1-(4-Ethoxyphenyl)-3-[(tetrahydro-2-furanylmethyl)amino]-2,5-pyrrolidinedione
CID 3139874
3-(Hydroxy(phenyl)amino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 3740692
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpropanamide
CID 4883620
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 6457883
1-(4-Methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6460167
1-(4-Ethoxyphenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 16194672
3-(4-Methoxyanilino)pyrrolidine-2,5-dione
CID 613210

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (CID 662136) is 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is CCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The InChIKey is JTAWVMPSDYVHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-3-13-26-17-11-9-15(10-12-17)21-19(23)14-18(20(21)24)22(25)16-7-5-4-6-8-16/h4-12,18,25H,2-3,13-14H2,1H3.
What are the key properties of 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione has a molecular weight of 354.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 662136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).