2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide

C13H23N3O — CID 54992919

IUPAC2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide
SMILESCCN(CCC#N)CC(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-2-16(10-6-9-14)11-13(17)15-12-7-4-3-5-8-12/h12H,2-8,10-11H2,1H3,(H,15,17)
InChIKeyVRKGRKIPEDXWOB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.67
Rot. Bonds6

About 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide

2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide (PubChem CID 54992919) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide
PubChem CID54992919
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide
SMILESCCN(CCC#N)CC(=O)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-2-16(10-6-9-14)11-13(17)15-12-7-4-3-5-8-12/h12H,2-8,10-11H2,1H3,(H,15,17)
InChIKeyVRKGRKIPEDXWOB-UHFFFAOYSA-N
XLogP1.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685926
2-[2-aminoethyl(ethyl)amino]-N-cyclopropylacetamide
CID 61349324
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(cyclohexylcarbamoyl)amino]ethyl]-3-cyclohexylurea
CID 4134451
2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
CID 63228388
1-(2-cyanoethyl)-3-cyclohexyl-1-propan-2-ylurea
CID 54949286
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
CID 62026563
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide
CID 54996933
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 55002666
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide (CID 54992919) is 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide is CCN(CCC#N)CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide?
The InChIKey is VRKGRKIPEDXWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-16(10-6-9-14)11-13(17)15-12-7-4-3-5-8-12/h12H,2-8,10-11H2,1H3,(H,15,17).
What are the key properties of 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide?
2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide has a molecular weight of 237.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide is sourced from PubChem (CID 54992919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).