N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C13H22N2O2 — CID 78981785

IUPACN-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC1CCC(NC(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-9-3-5-11(6-4-9)15-13(17)10-7-12(16)14-8-10/h9-11H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyAIZNPRRGQQFIPQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.21
Rot. Bonds3

About N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981785) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78981785
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC1CCC(NC(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-9-3-5-11(6-4-9)15-13(17)10-7-12(16)14-8-10/h9-11H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyAIZNPRRGQQFIPQ-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78998864
N-(3-ethyl-2-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 83192551
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120598192
N-(1-ethylsulfonylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728744
N-(2-methyloxolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 82841949
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982521
6-oxo-N-[(3S)-pyrrolidin-3-yl]piperidine-3-carboxamide
CID 83192394
N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83193505
N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 115613116
N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide
CID 177134529

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 78981785) is N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CCC1CCC(NC(=O)C2CNC(=O)C2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AIZNPRRGQQFIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-9-3-5-11(6-4-9)15-13(17)10-7-12(16)14-8-10/h9-11H,2-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).