propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate

C24H24N2O4 — CID 110561008

IUPACpropyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate
SMILESCCCOC(=O)c1ccc(N2C(=O)C(c3ccccc3)=C(N3CCCC3)C2=O)cc1
InChIInChI=1S/C24H24N2O4/c1-2-16-30-24(29)18-10-12-19(13-11-18)26-22(27)20(17-8-4-3-5-9-17)21(23(26)28)25-14-6-7-15-25/h3-5,8-13H,2,6-7,14-16H2,1H3
InChIKeyVHBXZNYZFSFOGS-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.63
Rot. Bonds6

About propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate

propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate (PubChem CID 110561008) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate.

Molecular Properties

Compound Namepropyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate
PubChem CID110561008
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namepropyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate
SMILESCCCOC(=O)c1ccc(N2C(=O)C(c3ccccc3)=C(N3CCCC3)C2=O)cc1
InChIInChI=1S/C24H24N2O4/c1-2-16-30-24(29)18-10-12-19(13-11-18)26-22(27)20(17-8-4-3-5-9-17)21(23(26)28)25-14-6-7-15-25/h3-5,8-13H,2,6-7,14-16H2,1H3
InChIKeyVHBXZNYZFSFOGS-UHFFFAOYSA-N
XLogP3.63
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

propyl 4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzoate
CID 110561006
propyl 4-[3-(2,3-dihydroindol-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzoate
CID 110561016
propyl 4-[3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]benzoate
CID 110573840
propyl 4-(3-ethylsulfanyl-2,5-dioxo-4-phenylpyrrol-1-yl)benzoate
CID 110561020
propyl 4-(2,5-dioxo-3-phenyl-4-propan-2-ylsulfanylpyrrol-1-yl)benzoate
CID 110561021
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110558320
3-(4-ethylpiperazin-1-yl)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110558664
propyl 4-[3-(4-fluoroanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzoate
CID 110595456
1-(4-methylphenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577575
1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487
1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561726

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate?
The IUPAC name of propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate (CID 110561008) is propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate.
What is the SMILES notation for propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate?
The canonical SMILES for propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate is CCCOC(=O)c1ccc(N2C(=O)C(c3ccccc3)=C(N3CCCC3)C2=O)cc1.
What is the InChIKey of propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate?
The InChIKey is VHBXZNYZFSFOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-16-30-24(29)18-10-12-19(13-11-18)26-22(27)20(17-8-4-3-5-9-17)21(23(26)28)25-14-6-7-15-25/h3-5,8-13H,2,6-7,14-16H2,1H3.
What are the key properties of propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate?
propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate has a molecular weight of 404.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2,5-dioxo-3-phenyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate is sourced from PubChem (CID 110561008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).