N-(1-cyanocyclohexyl)-2-cyclohexylacetamide

C15H24N2O — CID 51970861

IUPACN-(1-cyanocyclohexyl)-2-cyclohexylacetamide
SMILESN#CC1(NC(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C15H24N2O/c16-12-15(9-5-2-6-10-15)17-14(18)11-13-7-3-1-4-8-13/h13H,1-11H2,(H,17,18)
InChIKeySNKTTXXBIHSHGD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.30
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-cyclohexylacetamide

N-(1-cyanocyclohexyl)-2-cyclohexylacetamide (PubChem CID 51970861) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-cyclohexylacetamide
PubChem CID51970861
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(1-cyanocyclohexyl)-2-cyclohexylacetamide
SMILESN#CC1(NC(=O)CC2CCCCC2)CCCCC1
InChIInChI=1S/C15H24N2O/c16-12-15(9-5-2-6-10-15)17-14(18)11-13-7-3-1-4-8-13/h13H,1-11H2,(H,17,18)
InChIKeySNKTTXXBIHSHGD-UHFFFAOYSA-N
XLogP3.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-cyclohexylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-cyclohexylacetamide (CID 51970861) is N-(1-cyanocyclohexyl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-cyclohexylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-cyclohexylacetamide is N#CC1(NC(=O)CC2CCCCC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-cyclohexylacetamide?
The InChIKey is SNKTTXXBIHSHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-12-15(9-5-2-6-10-15)17-14(18)11-13-7-3-1-4-8-13/h13H,1-11H2,(H,17,18).
What are the key properties of N-(1-cyanocyclohexyl)-2-cyclohexylacetamide?
N-(1-cyanocyclohexyl)-2-cyclohexylacetamide has a molecular weight of 248.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-cyclohexylacetamide is sourced from PubChem (CID 51970861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).