N-(4-cyanocyclohexyl)-2-cyclohexylacetamide

C15H24N2O — CID 116817040

IUPACN-(4-cyanocyclohexyl)-2-cyclohexylacetamide
SMILESN#CC1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C15H24N2O/c16-11-13-6-8-14(9-7-13)17-15(18)10-12-4-2-1-3-5-12/h12-14H,1-10H2,(H,17,18)
InChIKeyAOHYDZQAXPRVTB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.16
Rot. Bonds3

About N-(4-cyanocyclohexyl)-2-cyclohexylacetamide

N-(4-cyanocyclohexyl)-2-cyclohexylacetamide (PubChem CID 116817040) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-2-cyclohexylacetamide
PubChem CID116817040
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(4-cyanocyclohexyl)-2-cyclohexylacetamide
SMILESN#CC1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C15H24N2O/c16-11-13-6-8-14(9-7-13)17-15(18)10-12-4-2-1-3-5-12/h12-14H,1-10H2,(H,17,18)
InChIKeyAOHYDZQAXPRVTB-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-2-cyclohexylacetamide?
The IUPAC name of N-(4-cyanocyclohexyl)-2-cyclohexylacetamide (CID 116817040) is N-(4-cyanocyclohexyl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-2-cyclohexylacetamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-2-cyclohexylacetamide is N#CC1CCC(NC(=O)CC2CCCCC2)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-2-cyclohexylacetamide?
The InChIKey is AOHYDZQAXPRVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-11-13-6-8-14(9-7-13)17-15(18)10-12-4-2-1-3-5-12/h12-14H,1-10H2,(H,17,18).
What are the key properties of N-(4-cyanocyclohexyl)-2-cyclohexylacetamide?
N-(4-cyanocyclohexyl)-2-cyclohexylacetamide has a molecular weight of 248.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-2-cyclohexylacetamide is sourced from PubChem (CID 116817040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).