N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide

C16H26N2O — CID 116817101

IUPACN-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCCC1)C1CCC(C#N)CC1
InChIInChI=1S/C16H26N2O/c1-18(15-9-7-14(12-17)8-10-15)16(19)11-13-5-3-2-4-6-13/h13-15H,2-11H2,1H3
InChIKeyGWYSASHLQKYWMC-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.50
Rot. Bonds3

About N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide

N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide (PubChem CID 116817101) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide
PubChem CID116817101
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCCC1)C1CCC(C#N)CC1
InChIInChI=1S/C16H26N2O/c1-18(15-9-7-14(12-17)8-10-15)16(19)11-13-5-3-2-4-6-13/h13-15H,2-11H2,1H3
InChIKeyGWYSASHLQKYWMC-UHFFFAOYSA-N
XLogP3.50
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide
CID 116817264
1-(4-cyanocyclohexyl)-3-cyclohexyl-1-methylurea
CID 115270228
N-(4-cyanocyclohexyl)-N-methylcyclobutanecarboxamide
CID 115270234
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
N-cyclopropyl-N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75502533
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
3-cyano-N-cyclopentyl-N-methylpropanamide
CID 115173721
N-(4-cyanocyclohexyl)-2-cyclohexylacetamide
CID 116817040
2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635605
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
2-(azetidin-3-yl)-N-cyclobutyl-N-methylacetamide
CID 115739566
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
CID 86976959

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide?
The IUPAC name of N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide (CID 116817101) is N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide is CN(C(=O)CC1CCCCC1)C1CCC(C#N)CC1.
What is the InChIKey of N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide?
The InChIKey is GWYSASHLQKYWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(15-9-7-14(12-17)8-10-15)16(19)11-13-5-3-2-4-6-13/h13-15H,2-11H2,1H3.
What are the key properties of N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide?
N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide has a molecular weight of 262.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 116817101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).