N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide

C16H26N2O — CID 61121520

IUPACN-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
SMILESCC1CCC(C#N)(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H26N2O/c1-13-7-9-16(12-17,10-8-13)18-15(19)11-14-5-3-2-4-6-14/h13-14H,2-11H2,1H3,(H,18,19)
InChIKeyRMVXVEAYHZHGCZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.55
Rot. Bonds3

About N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide

N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide (PubChem CID 61121520) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
PubChem CID61121520
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
SMILESCC1CCC(C#N)(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H26N2O/c1-13-7-9-16(12-17,10-8-13)18-15(19)11-14-5-3-2-4-6-14/h13-14H,2-11H2,1H3,(H,18,19)
InChIKeyRMVXVEAYHZHGCZ-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopentyl)-2-(thian-4-yl)acetamide
CID 80709497
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
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N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide
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N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65156261
1-(1-cyano-4-methylcyclohexyl)-3-cyclobutylurea
CID 116658255
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide
CID 62366218
methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate
CID 28702826
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone
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CID 55029198

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide (CID 61121520) is N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide is CC1CCC(C#N)(NC(=O)CC2CCCCC2)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide?
The InChIKey is RMVXVEAYHZHGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-7-9-16(12-17,10-8-13)18-15(19)11-14-5-3-2-4-6-14/h13-14H,2-11H2,1H3,(H,18,19).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide?
N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide has a molecular weight of 262.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide is sourced from PubChem (CID 61121520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).