(4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione

C23H26N2O4 — CID 5291572

IUPAC(4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILESCOCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C23H26N2O4/c1-24(2)18-12-10-16(11-13-18)20-19(21(26)17-8-5-4-6-9-17)22(27)23(28)25(20)14-7-15-29-3/h4-6,8-13,20,26H,7,14-15H2,1-3H3/b21-19+
InChIKeyJMLSNNAFGHAIRP-XUTLUUPISA-N
MW394.47 g/mol
LogP3.21
Rot. Bonds7

About (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione

(4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione (PubChem CID 5291572) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
PubChem CID5291572
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILESCOCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C23H26N2O4/c1-24(2)18-12-10-16(11-13-18)20-19(21(26)17-8-5-4-6-9-17)22(27)23(28)25(20)14-7-15-29-3/h4-6,8-13,20,26H,7,14-15H2,1-3H3/b21-19+
InChIKeyJMLSNNAFGHAIRP-XUTLUUPISA-N
XLogP3.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)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

Frequently Asked Questions

What is the IUPAC name of (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione?
The IUPAC name of (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione (CID 5291572) is (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione is COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccc(N(C)C)cc1.
What is the InChIKey of (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione?
The InChIKey is JMLSNNAFGHAIRP-XUTLUUPISA-N. The full InChI is InChI=1S/C23H26N2O4/c1-24(2)18-12-10-16(11-13-18)20-19(21(26)17-8-5-4-6-9-17)22(27)23(28)25(20)14-7-15-29-3/h4-6,8-13,20,26H,7,14-15H2,1-3H3/b21-19+.
What are the key properties of (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione?
(4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione has a molecular weight of 394.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 5291572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).