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

C28H28N2O4 — CID 108721207

IUPAC(4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
SMILESCC(C)Oc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C28H28N2O4/c1-18(2)34-23-12-8-11-20(17-23)25-24(26(31)19-9-6-5-7-10-19)27(32)28(33)30(25)22-15-13-21(14-16-22)29(3)4/h5-18,25,31H,1-4H3/b26-24-
InChIKeyWOXBWTSWTYBDRL-LCUIJRPUSA-N
MW456.54 g/mol
LogP5.17
Rot. Bonds6

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

(4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108721207) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is (4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
PubChem CID108721207
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name(4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
SMILESCC(C)Oc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C28H28N2O4/c1-18(2)34-23-12-8-11-20(17-23)25-24(26(31)19-9-6-5-7-10-19)27(32)28(33)30(25)22-15-13-21(14-16-22)29(3)4/h5-18,25,31H,1-4H3/b26-24-
InChIKeyWOXBWTSWTYBDRL-LCUIJRPUSA-N
XLogP5.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(dimethylamino)phenyl]-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108721222
(4Z)-1-[4-(dimethylamino)phenyl]-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108721246
(4Z)-4-[(4-bromo-3-methylphenyl)-hydroxymethylidene]-1-[4-(dimethylamino)phenyl]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108721205
(4Z)-4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108666859
(4E)-1-[4-(dimethylamino)phenyl]-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108720206
(5R)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 7421585
(4Z)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108671414
(4E)-1-(3,4-difluorophenyl)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108668596
(4E)-1-[4-(dimethylamino)phenyl]-4-[hydroxy-(3-methyl-4-propoxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108721267
(4Z)-1-(4-bromophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108678504
(4Z)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(3-propoxyphenyl)methylidene]-1-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108706542
(4Z)-4-[hydroxy-[4-(2-methylpropoxy)phenyl]methylidene]-1-phenyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586501

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione (CID 108721207) is (4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione is CC(C)Oc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccc(N(C)C)cc2)c1.
What is the InChIKey of (4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is WOXBWTSWTYBDRL-LCUIJRPUSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-18(2)34-23-12-8-11-20(17-23)25-24(26(31)19-9-6-5-7-10-19)27(32)28(33)30(25)22-15-13-21(14-16-22)29(3)4/h5-18,25,31H,1-4H3/b26-24-.
What are the key properties of (4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione?
(4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 456.54 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108721207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).