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

C22H24N2O3 — CID 3724923

IUPAC3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(=Cc3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-4-13-27-20-11-9-19(10-12-20)24-21(25)15-17(22(24)26)14-16-5-7-18(8-6-16)23(2)3/h5-12,14H,4,13,15H2,1-3H3
InChIKeyDAVHDEVPBYLIHD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.89
Rot. Bonds6

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

3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3724923) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID3724923
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(=Cc3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-4-13-27-20-11-9-19(10-12-20)24-21(25)15-17(22(24)26)14-16-5-7-18(8-6-16)23(2)3/h5-12,14H,4,13,15H2,1-3H3
InChIKeyDAVHDEVPBYLIHD-UHFFFAOYSA-N
XLogP3.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(4-chlorophenoxy)phenyl]methylidene]-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]pyrrolidine-2,5-dione
CID 142712150
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582359
(3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione
CID 54601476
(5Z)-2-(4-butoxyphenyl)-3-(4-butylphenyl)-5-[[4-(dimethylamino)phenyl]methylidene]imidazol-4-one
CID 46494977
3-(4-methoxyphenyl)-5-[(4-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3925481
(5E)-3-(4-chlorophenyl)-5-[(4-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2287503
3-[[4-(dimethylamino)phenyl]methylidene]-1-heptyl-5-sulfanylidenepyrrolidin-2-one
CID 91034153
(3R,3aR,6aR)-3-[4-(dimethylamino)phenyl]-2-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98347606
2,7-bis[(4-butoxyphenyl)methylidene]cycloheptan-1-one
CID 5189711
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
CID 44627216
4-hexoxy-N,N-dimethylaniline
CID 19782341
(5E)-3-[4-(dimethylamino)phenyl]-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126350673

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 3724923) is 3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)CC(=Cc3ccc(N(C)C)cc3)C2=O)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is DAVHDEVPBYLIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-13-27-20-11-9-19(10-12-20)24-21(25)15-17(22(24)26)14-16-5-7-18(8-6-16)23(2)3/h5-12,14H,4,13,15H2,1-3H3.
What are the key properties of 3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 364.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3724923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).