N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C13H22N2O2 — CID 78998864

IUPACN-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C13H22N2O2/c1-8-3-9(2)5-11(4-8)15-13(17)10-6-12(16)14-7-10/h8-11H,3-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQTFRUDHXMJYBPH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.06
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78998864) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78998864
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CC(C)CC(NC(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C13H22N2O2/c1-8-3-9(2)5-11(4-8)15-13(17)10-6-12(16)14-7-10/h8-11H,3-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQTFRUDHXMJYBPH-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120598192
N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78981785
4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197968
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
N-(2-methyloxolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 82841949
(3R)-N-(3,5-dimethylcyclohexyl)piperidine-3-carboxamide
CID 81134524
3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114156975
N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 78981963
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983234
N-(3-ethyl-2-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 83192551

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 78998864) is N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CC1CC(C)CC(NC(=O)C2CNC(=O)C2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QTFRUDHXMJYBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-3-9(2)5-11(4-8)15-13(17)10-6-12(16)14-7-10/h8-11H,3-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78998864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).