N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide

C22H30N2O3 — CID 23773063

IUPACN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide
SMILESCCC(C)(C)N(C(=O)C1CCCCC1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C22H30N2O3/c1-4-22(2,3)24(20(26)16-11-7-5-8-12-16)18-15-19(25)23(21(18)27)17-13-9-6-10-14-17/h6,9-10,13-14,16,18H,4-5,7-8,11-12,15H2,1-3H3
InChIKeyUKHCOSXUKWSSEF-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.92
Rot. Bonds5

About N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide (PubChem CID 23773063) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide
PubChem CID23773063
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide
SMILESCCC(C)(C)N(C(=O)C1CCCCC1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C22H30N2O3/c1-4-22(2,3)24(20(26)16-11-7-5-8-12-16)18-15-19(25)23(21(18)27)17-13-9-6-10-14-17/h6,9-10,13-14,16,18H,4-5,7-8,11-12,15H2,1-3H3
InChIKeyUKHCOSXUKWSSEF-UHFFFAOYSA-N
XLogP3.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-[cyclohexanecarbonyl(2-methylbutan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23830979
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-(2-methylbutan-2-yl)cyclohexanecarboxamide
CID 25048852
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylcyclohexanecarboxamide
CID 23830977
2-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23916507
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 23916425
2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972507
4-methoxy-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23832270
N-cyclopropyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 23830942
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)cyclohexanecarboxamide
CID 23971077
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
[4-[3-[(2-chlorophenyl)methyl-(cyclohexanecarbonyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23971070
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide
CID 23745389

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide (CID 23773063) is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide is CCC(C)(C)N(C(=O)C1CCCCC1)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide?
The InChIKey is UKHCOSXUKWSSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-22(2,3)24(20(26)16-11-7-5-8-12-16)18-15-19(25)23(21(18)27)17-13-9-6-10-14-17/h6,9-10,13-14,16,18H,4-5,7-8,11-12,15H2,1-3H3.
What are the key properties of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide?
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 23773063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).