3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide

C24H28N2O3 — CID 55389083

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCC(C)c1ccc(C(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)C(C)C)cc1
InChIInChI=1S/C24H28N2O3/c1-15(2)17-8-10-18(11-9-17)23(16(3)4)25-24(29)19-6-5-7-20(14-19)26-21(27)12-13-22(26)28/h5-11,14-16,23H,12-13H2,1-4H3,(H,25,29)
InChIKeyAGPKNNAHSHNVRH-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.59
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide (PubChem CID 55389083) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
PubChem CID55389083
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
SMILESCC(C)c1ccc(C(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)C(C)C)cc1
InChIInChI=1S/C24H28N2O3/c1-15(2)17-8-10-18(11-9-17)23(16(3)4)25-24(29)19-6-5-7-20(14-19)26-21(27)12-13-22(26)28/h5-11,14-16,23H,12-13H2,1-4H3,(H,25,29)
InChIKeyAGPKNNAHSHNVRH-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide (CID 55389083) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide is CC(C)c1ccc(C(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)C(C)C)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide?
The InChIKey is AGPKNNAHSHNVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-15(2)17-8-10-18(11-9-17)23(16(3)4)25-24(29)19-6-5-7-20(14-19)26-21(27)12-13-22(26)28/h5-11,14-16,23H,12-13H2,1-4H3,(H,25,29).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide is sourced from PubChem (CID 55389083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).