(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide

C16H20N2O — CID 125465712

IUPAC(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
SMILESN#CCNC(=O)[C@@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H20N2O/c17-11-12-18-16(19)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-10,12H2,(H,18,19)/t15-/m0/s1
InChIKeyKOBSENHVVIUBFO-HNNXBMFYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds4

About (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide

(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide (PubChem CID 125465712) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
PubChem CID125465712
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
SMILESN#CCNC(=O)[C@@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H20N2O/c17-11-12-18-16(19)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-10,12H2,(H,18,19)/t15-/m0/s1
InChIKeyKOBSENHVVIUBFO-HNNXBMFYSA-N
XLogP2.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 122567382
(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 125444165
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
CID 68902944
2-bromo-N-[3-(cyanomethylamino)-2-cyclohexyl-3-oxopropyl]benzamide
CID 87849379
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide?
The IUPAC name of (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide (CID 125465712) is (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide is N#CCNC(=O)[C@@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide?
The InChIKey is KOBSENHVVIUBFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-11-12-18-16(19)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-10,12H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide?
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide has a molecular weight of 256.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide is sourced from PubChem (CID 125465712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).