5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

C28H34N2O5 — CID 74253295

IUPAC5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
SMILESCc1ccc(O)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C28H34N2O5/c1-18-5-10-22(31)21(17-18)25(32)23-24(19-6-8-20(9-7-19)28(2,3)4)30(27(34)26(23)33)12-11-29-13-15-35-16-14-29/h5-10,17,24,31-32H,11-16H2,1-4H3
InChIKeyBKYMTWJGYUNLCP-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.75
Rot. Bonds5

About 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione (PubChem CID 74253295) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
PubChem CID74253295
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
SMILESCc1ccc(O)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C28H34N2O5/c1-18-5-10-22(31)21(17-18)25(32)23-24(19-6-8-20(9-7-19)28(2,3)4)30(27(34)26(23)33)12-11-29-13-15-35-16-14-29/h5-10,17,24,31-32H,11-16H2,1-4H3
InChIKeyBKYMTWJGYUNLCP-UHFFFAOYSA-N
XLogP3.75
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-5-(4-tert-butylphenyl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 6123125
(5R)-5-(4-chlorophenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 28836788
methyl 4-[3-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate
CID 73263903
(5R)-4-[(5-bromo-2-hydroxyphenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 28836172
(4E,5S)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 6560088
(5S)-4-[(5-chloro-2-hydroxyphenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 28838149
(4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 6123179
(5S)-5-(4-tert-butylphenyl)-4-[hydroxy-(2-methyl-4-propoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 31557981
4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 2907722
5-(4-ethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 3850529
(4E,5S)-5-(4-ethylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 41030847
(4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 6123260

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione (CID 74253295) is 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is Cc1ccc(O)c(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The InChIKey is BKYMTWJGYUNLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-18-5-10-22(31)21(17-18)25(32)23-24(19-6-8-20(9-7-19)28(2,3)4)30(27(34)26(23)33)12-11-29-13-15-35-16-14-29/h5-10,17,24,31-32H,11-16H2,1-4H3.
What are the key properties of 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione has a molecular weight of 478.59 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-4-[hydroxy-(2-hydroxy-5-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 74253295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).