2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide

C16H20N2O2 — CID 102632131

IUPAC2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
SMILESCN(C(=O)C(C#N)c1ccccc1)C1CCCCC1O
InChIInChI=1S/C16H20N2O2/c1-18(14-9-5-6-10-15(14)19)16(20)13(11-17)12-7-3-2-4-8-12/h2-4,7-8,13-15,19H,5-6,9-10H2,1H3
InChIKeyNXOCOVABUCAEQV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.06
Rot. Bonds3

About 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide

2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide (PubChem CID 102632131) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
PubChem CID102632131
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
SMILESCN(C(=O)C(C#N)c1ccccc1)C1CCCCC1O
InChIInChI=1S/C16H20N2O2/c1-18(14-9-5-6-10-15(14)19)16(20)13(11-17)12-7-3-2-4-8-12/h2-4,7-8,13-15,19H,5-6,9-10H2,1H3
InChIKeyNXOCOVABUCAEQV-UHFFFAOYSA-N
XLogP2.06
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-[cyclohexyl(methyl)amino]-3-oxo-2-phenylbutanenitrile
CID 2333029
2-cyano-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 62877024
N-(2-amino-2-oxoethyl)-2-cyano-N-cyclopentyl-2-phenylacetamide
CID 62879122
3-cyclohexyl-3-oxo-2-phenylpropanenitrile
CID 43156648
N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide
CID 102634873
3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 102632745
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
(2S)-2-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylacetamide
CID 104897433
2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 13055743
N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 102634188
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide (CID 102632131) is 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide is CN(C(=O)C(C#N)c1ccccc1)C1CCCCC1O.
What is the InChIKey of 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide?
The InChIKey is NXOCOVABUCAEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(14-9-5-6-10-15(14)19)16(20)13(11-17)12-7-3-2-4-8-12/h2-4,7-8,13-15,19H,5-6,9-10H2,1H3.
What are the key properties of 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide?
2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxycyclohexyl)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 102632131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).