5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide

C24H26N2O3 — CID 90723410

IUPAC5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
SMILESCC1(Cc2ccccc2)NC(=O)C(C(=O)Nc2ccc(C3CCCC3)cc2)C1=O
InChIInChI=1S/C24H26N2O3/c1-24(15-16-7-3-2-4-8-16)21(27)20(23(29)26-24)22(28)25-19-13-11-18(12-14-19)17-9-5-6-10-17/h2-4,7-8,11-14,17,20H,5-6,9-10,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyGKVCUPMRILXELB-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.60
Rot. Bonds5

About 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide

5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide (PubChem CID 90723410) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
PubChem CID90723410
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
SMILESCC1(Cc2ccccc2)NC(=O)C(C(=O)Nc2ccc(C3CCCC3)cc2)C1=O
InChIInChI=1S/C24H26N2O3/c1-24(15-16-7-3-2-4-8-16)21(27)20(23(29)26-24)22(28)25-19-13-11-18(12-14-19)17-9-5-6-10-17/h2-4,7-8,11-14,17,20H,5-6,9-10,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyGKVCUPMRILXELB-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.60
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

(2S,5R)-N-(4-(2-amino-2-oxoethyl)phenyl)-5-methyl-2-(propan-2-yl)cyclohexanecarboxamide
CID 67096018
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CID 66686
Ketoamide, 12
CID 25023794
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide
CID 2852569
Cyanocyclopropylpropenamide, 11
CID 53761678
N,N'-4,4'-biphenyldiyldibutanamide
CID 790240
N-(4-(1-Methylpropyl)phenyl)bicyclo(2.2.1)heptane-2-carboxamide
CID 3267803
N-(4-fluorophenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3331949
N-(3-methylphenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4403215
5-Oxo-1,2-diphenylpyrrolidine-2-carboxamide
CID 5106131
2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 3145065
BA 41899
CID 133070

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide?
The IUPAC name of 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide (CID 90723410) is 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide is CC1(Cc2ccccc2)NC(=O)C(C(=O)Nc2ccc(C3CCCC3)cc2)C1=O.
What is the InChIKey of 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide?
The InChIKey is GKVCUPMRILXELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-24(15-16-7-3-2-4-8-16)21(27)20(23(29)26-24)22(28)25-19-13-11-18(12-14-19)17-9-5-6-10-17/h2-4,7-8,11-14,17,20H,5-6,9-10,15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide?
5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90723410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).