N-(1-cyano-4-ethylcyclohexyl)acetamide

C11H18N2O — CID 61120751

IUPACN-(1-cyano-4-ethylcyclohexyl)acetamide
SMILESCCC1CCC(C#N)(NC(C)=O)CC1
InChIInChI=1S/C11H18N2O/c1-3-10-4-6-11(8-12,7-5-10)13-9(2)14/h10H,3-7H2,1-2H3,(H,13,14)
InChIKeyAOGAQAGXXQQHED-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds2

About N-(1-cyano-4-ethylcyclohexyl)acetamide

N-(1-cyano-4-ethylcyclohexyl)acetamide (PubChem CID 61120751) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)acetamide
PubChem CID61120751
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)acetamide
SMILESCCC1CCC(C#N)(NC(C)=O)CC1
InChIInChI=1S/C11H18N2O/c1-3-10-4-6-11(8-12,7-5-10)13-9(2)14/h10H,3-7H2,1-2H3,(H,13,14)
InChIKeyAOGAQAGXXQQHED-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide
CID 79160127
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
N-(1-cyano-4-ethylcyclohexyl)-2-methyloxolane-3-carboxamide
CID 79759562
N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide
CID 61119370
N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
CID 61118969
5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide
CID 61120747
2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide
CID 107961621
3-bromo-N-(1-cyano-4-ethylcyclohexyl)-5-fluorobenzamide
CID 61120820
N-(1-cyano-4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208222
N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide
CID 65205115

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)acetamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)acetamide (CID 61120751) is N-(1-cyano-4-ethylcyclohexyl)acetamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)acetamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)acetamide is CCC1CCC(C#N)(NC(C)=O)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)acetamide?
The InChIKey is AOGAQAGXXQQHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10-4-6-11(8-12,7-5-10)13-9(2)14/h10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)acetamide?
N-(1-cyano-4-ethylcyclohexyl)acetamide has a molecular weight of 194.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)acetamide is sourced from PubChem (CID 61120751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).