5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C22H24N2O3 — CID 91178170

IUPAC5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1C(=O)NC(C)(Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N2O3/c1-14(2)16-11-7-8-12-17(16)23-20(26)18-19(25)22(3,24-21(18)27)13-15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNJXZAVAPIRYMSH-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.07
Rot. Bonds5

About 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 91178170) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID91178170
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1C(=O)NC(C)(Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N2O3/c1-14(2)16-11-7-8-12-17(16)23-20(26)18-19(25)22(3,24-21(18)27)13-15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNJXZAVAPIRYMSH-UHFFFAOYSA-N
XLogP3.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 91178170) is 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccccc1NC(=O)C1C(=O)NC(C)(Cc2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is NJXZAVAPIRYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14(2)16-11-7-8-12-17(16)23-20(26)18-19(25)22(3,24-21(18)27)13-15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-methyl-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91178170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).