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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Related Compounds

5-benzyl-5-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 91565262
2,4-dioxo-N-(2-propan-2-ylphenyl)-1-azaspiro[4.5]decane-3-carboxamide
CID 91470052
9-benzyl-2,4-dioxo-N-(2-propan-2-ylphenyl)-1,9-diazaspiro[4.5]decane-3-carboxamide
CID 90728701
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
N-(2-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 742969
tert-butyl (4aS,8aS)-4a-methyl-2,4-dioxo-3-[(2-propan-2-ylphenyl)carbamoyl]-5,7,8,8a-tetrahydro-1H-1,6-naphthyridine-6-carboxylate
CID 91381350
5-oxo-1-(3-phenylpropyl)-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185328
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702917
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 16557391

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).