(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione

C27H26N2O4 — CID 108581179

IUPAC(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H26N2O4/c1-17-7-5-6-8-22(17)29-24(18-9-13-20(14-10-18)28(2)3)23(26(31)27(29)32)25(30)19-11-15-21(33-4)16-12-19/h5-16,24,30H,1-4H3/b25-23-
InChIKeyNYXOOCKLOKVZGT-BZZOAKBMSA-N
MW442.52 g/mol
LogP4.70
Rot. Bonds5

About (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione

(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione (PubChem CID 108581179) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione
PubChem CID108581179
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H26N2O4/c1-17-7-5-6-8-22(17)29-24(18-9-13-20(14-10-18)28(2)3)23(26(31)27(29)32)25(30)19-11-15-21(33-4)16-12-19/h5-16,24,30H,1-4H3/b25-23-
InChIKeyNYXOOCKLOKVZGT-BZZOAKBMSA-N
XLogP4.70
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.70
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

(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 6313013
(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-[4-(2-methylpropoxy)phenyl]methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108581171
(4Z)-5-[4-(dimethylamino)phenyl]-4-[(4-ethylphenyl)-hydroxymethylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108581146
(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxy-3-propan-2-ylphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108581156
(4E)-1-(2,4-dimethylphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108576292
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(2-hydroxyphenyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108575840
(4E)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-5-[4-(dimethylamino)phenyl]-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108581122
(4E)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(2-methylphenyl)-5-phenylpyrrolidine-2,3-dione
CID 108639571
(4E)-1-(3,5-dimethoxyphenyl)-5-[4-(dimethylamino)phenyl]-4-[(3,4-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108705511
(4Z)-1-(2,5-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108576042
(4Z)-5-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108700625
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-hydroxyphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632811

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione (CID 108581179) is (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione is COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione?
The InChIKey is NYXOOCKLOKVZGT-BZZOAKBMSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-17-7-5-6-8-22(17)29-24(18-9-13-20(14-10-18)28(2)3)23(26(31)27(29)32)25(30)19-11-15-21(33-4)16-12-19/h5-16,24,30H,1-4H3/b25-23-.
What are the key properties of (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione?
(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione has a molecular weight of 442.52 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108581179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).