(4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione

C33H32N2O3 — CID 108710447

IUPAC(4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione
SMILESCCN(CC)c1ccc(C2/C(=C(/O)c3ccc4ccccc4c3)C(=O)C(=O)N2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C33H32N2O3/c1-5-34(6-2)27-17-14-24(15-18-27)30-29(31(36)26-13-12-23-9-7-8-10-25(23)20-26)32(37)33(38)35(30)28-16-11-21(3)22(4)19-28/h7-20,30,36H,5-6H2,1-4H3/b31-29-
InChIKeyZBTPEIYEBYZNKQ-YCNYHXFESA-N
MW504.63 g/mol
LogP6.93
Rot. Bonds6

About (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione

(4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione (PubChem CID 108710447) has the molecular formula C33H32N2O3 and a molecular weight of 504.63 g/mol. Its IUPAC name is (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione
PubChem CID108710447
Molecular FormulaC33H32N2O3
Molecular Weight504.63 g/mol
Exact Mass504.24
IUPAC Name(4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione
SMILESCCN(CC)c1ccc(C2/C(=C(/O)c3ccc4ccccc4c3)C(=O)C(=O)N2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C33H32N2O3/c1-5-34(6-2)27-17-14-24(15-18-27)30-29(31(36)26-13-12-23-9-7-8-10-25(23)20-26)32(37)33(38)35(30)28-16-11-21(3)22(4)19-28/h7-20,30,36H,5-6H2,1-4H3/b31-29-
InChIKeyZBTPEIYEBYZNKQ-YCNYHXFESA-N
XLogP6.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[(3,4-dimethylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108710408
(4Z)-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108582347
(4E)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108710431
(4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[(4-ethoxy-3-propan-2-ylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108710387
(4Z)-1-[4-(diethylamino)phenyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108697236
(4Z)-1-(3,4-dimethoxyphenyl)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione
CID 108705898
(4Z)-5-[4-(diethylamino)phenyl]-1-[4-(dimethylamino)phenyl]-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108709905
(4Z)-4-[(4-bromo-3-methylphenyl)-hydroxymethylidene]-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]pyrrolidine-2,3-dione
CID 108705580
(4Z)-4-[(4-chloro-3-methoxyphenyl)-hydroxymethylidene]-1-[4-(diethylamino)phenyl]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108697176
(4Z)-4-[hydroxy(naphthalen-2-yl)methylidene]-1,5-diphenylpyrrolidine-2,3-dione
CID 108638897
(4E)-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CID 108684270
(4Z)-5-[4-(diethylamino)phenyl]-1-(4-ethylphenyl)-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108710253

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione (CID 108710447) is (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione is CCN(CC)c1ccc(C2/C(=C(/O)c3ccc4ccccc4c3)C(=O)C(=O)N2c2ccc(C)c(C)c2)cc1.
What is the InChIKey of (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione?
The InChIKey is ZBTPEIYEBYZNKQ-YCNYHXFESA-N. The full InChI is InChI=1S/C33H32N2O3/c1-5-34(6-2)27-17-14-24(15-18-27)30-29(31(36)26-13-12-23-9-7-8-10-25(23)20-26)32(37)33(38)35(30)28-16-11-21(3)22(4)19-28/h7-20,30,36H,5-6H2,1-4H3/b31-29-.
What are the key properties of (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione?
(4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione has a molecular weight of 504.63 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 108710447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).