N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide

C12H20N2O2 — CID 55136713

IUPACN-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C12H20N2O2/c1-2-16-9-12(15)14-11(8-13)10-6-4-3-5-7-10/h10-11H,2-7,9H2,1H3,(H,14,15)
InChIKeyTZUHWVCIRBBHIU-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.61
Rot. Bonds5

About N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide

N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide (PubChem CID 55136713) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
PubChem CID55136713
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C12H20N2O2/c1-2-16-9-12(15)14-11(8-13)10-6-4-3-5-7-10/h10-11H,2-7,9H2,1H3,(H,14,15)
InChIKeyTZUHWVCIRBBHIU-UHFFFAOYSA-N
XLogP1.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-2-ethoxyacetamide
CID 81389829
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide
CID 61123203
(2R)-N-(cyanomethyl)-3-cyclohexyl-2-[(2-ethoxyacetyl)amino]propanamide
CID 87848952
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208226
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 71979380
2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
CID 95788640
N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539335
N-[(S)-cyano(cyclohexyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 95788643
N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309839
N-[(1R)-1-cyanopropyl]-2-cyclohexyloxyacetamide
CID 95292379

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide (CID 55136713) is N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide is CCOCC(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide?
The InChIKey is TZUHWVCIRBBHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-16-9-12(15)14-11(8-13)10-6-4-3-5-7-10/h10-11H,2-7,9H2,1H3,(H,14,15).
What are the key properties of N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide?
N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide has a molecular weight of 224.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide is sourced from PubChem (CID 55136713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).