2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide

C18H25N3O — CID 18129609

IUPAC2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
SMILESCCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1
InChIInChI=1S/C18H25N3O/c1-2-21(13-16-9-5-3-6-10-16)14-17(22)20-18(15-19)11-7-4-8-12-18/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,20,22)
InChIKeyCLNYEMGMHBJPQY-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.85
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide

2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide (PubChem CID 18129609) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
PubChem CID18129609
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
SMILESCCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1
InChIInChI=1S/C18H25N3O/c1-2-21(13-16-9-5-3-6-10-16)14-17(22)20-18(15-19)11-7-4-8-12-18/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,20,22)
InChIKeyCLNYEMGMHBJPQY-UHFFFAOYSA-N
XLogP2.85
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
2-[benzyl-(1-hydroxy-3-methylbutan-2-yl)amino]-N-(1-cyanocyclopentyl)acetamide
CID 111432016
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 18171130
N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
CID 51097262
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
CID 110473191
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide
CID 18270422
2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9030247
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide (CID 18129609) is 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide is CCN(CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is CLNYEMGMHBJPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-21(13-16-9-5-3-6-10-16)14-17(22)20-18(15-19)11-7-4-8-12-18/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,20,22).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide?
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 299.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 18129609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).