(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

C31H34N2O4 — CID 108709947

IUPAC(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
SMILESCCN(CC)c1ccc(C2/C(=C(/O)c3ccccc3OC)C(=O)C(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C31H34N2O4/c1-6-32(7-2)23-16-14-22(15-17-23)28-27(29(34)25-10-8-9-11-26(25)37-5)30(35)31(36)33(28)24-18-12-21(13-19-24)20(3)4/h8-20,28,34H,6-7H2,1-5H3/b29-27-
InChIKeyQXCLKAGKIUKEOY-OHYPFYFLSA-N
MW498.62 g/mol
LogP6.29
Rot. Bonds8

About (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (PubChem CID 108709947) has the molecular formula C31H34N2O4 and a molecular weight of 498.62 g/mol. Its IUPAC name is (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
PubChem CID108709947
Molecular FormulaC31H34N2O4
Molecular Weight498.62 g/mol
Exact Mass498.25
IUPAC Name(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
SMILESCCN(CC)c1ccc(C2/C(=C(/O)c3ccccc3OC)C(=O)C(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C31H34N2O4/c1-6-32(7-2)23-16-14-22(15-17-23)28-27(29(34)25-10-8-9-11-26(25)37-5)30(35)31(36)33(28)24-18-12-21(13-19-24)20(3)4/h8-20,28,34H,6-7H2,1-5H3/b29-27-
InChIKeyQXCLKAGKIUKEOY-OHYPFYFLSA-N
XLogP6.29
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(4Z)-1-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108698774
(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy(naphthalen-1-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108710336
(4E)-1-[4-(diethylamino)phenyl]-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108668903
(4E)-4-[(2-chloro-5-ethoxyphenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108709960
(4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108720153
(4E)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-5-phenyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108597978
(4Z)-1-[4-(diethylamino)phenyl]-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-5-[4-(dimethylamino)phenyl]pyrrolidine-2,3-dione
CID 108705600
(4E)-4-[(5-chloro-2,4-dimethoxyphenyl)-hydroxymethylidene]-1-[4-(diethylamino)phenyl]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108668864
(4Z)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-1,5-bis(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108679723
(4E)-4-[(5-tert-butyl-2-methoxyphenyl)-hydroxymethylidene]-1-(4-chlorophenyl)-5-[4-(diethylamino)phenyl]pyrrolidine-2,3-dione
CID 108710650
(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 108710015
(4Z)-4-[hydroxy-(2-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108665896

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (CID 108709947) is (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is CCN(CC)c1ccc(C2/C(=C(/O)c3ccccc3OC)C(=O)C(=O)N2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?
The InChIKey is QXCLKAGKIUKEOY-OHYPFYFLSA-N. The full InChI is InChI=1S/C31H34N2O4/c1-6-32(7-2)23-16-14-22(15-17-23)28-27(29(34)25-10-8-9-11-26(25)37-5)30(35)31(36)33(28)24-18-12-21(13-19-24)20(3)4/h8-20,28,34H,6-7H2,1-5H3/b29-27-.
What are the key properties of (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione?
(4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione has a molecular weight of 498.62 g/mol, XLogP of 6.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-[4-(diethylamino)phenyl]-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108709947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).