N-(cyanomethyl)-N-phenylcyclohexanecarboxamide

C15H18N2O — CID 82130138

IUPACN-(cyanomethyl)-N-phenylcyclohexanecarboxamide
SMILESN#CCN(C(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H18N2O/c16-11-12-17(14-9-5-2-6-10-14)15(18)13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,12H2
InChIKeyXEIQBPPWUURAGZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.12
Rot. Bonds3

About N-(cyanomethyl)-N-phenylcyclohexanecarboxamide

N-(cyanomethyl)-N-phenylcyclohexanecarboxamide (PubChem CID 82130138) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(cyanomethyl)-N-phenylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-phenylcyclohexanecarboxamide
PubChem CID82130138
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(cyanomethyl)-N-phenylcyclohexanecarboxamide
SMILESN#CCN(C(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H18N2O/c16-11-12-17(14-9-5-2-6-10-14)15(18)13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,12H2
InChIKeyXEIQBPPWUURAGZ-UHFFFAOYSA-N
XLogP3.12
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[N-(cyanomethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 7958845
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-hydroxy-N-phenylcycloheptanecarboxamide
CID 131974748
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
(2S)-N-(cyanomethyl)-2-cyclopentyloxy-N-phenylbutanamide
CID 97095287
N-(cyanomethyl)-2-(3,4-dihydroxypyrrolidin-1-yl)-N-phenylacetamide
CID 106672579
N-(cyanomethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 102870235
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
1-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441928
N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
CID 24695589
N-phenylcyclopentanecarbohydrazide
CID 135123224

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-phenylcyclohexanecarboxamide?
The IUPAC name of N-(cyanomethyl)-N-phenylcyclohexanecarboxamide (CID 82130138) is N-(cyanomethyl)-N-phenylcyclohexanecarboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-phenylcyclohexanecarboxamide?
The canonical SMILES for N-(cyanomethyl)-N-phenylcyclohexanecarboxamide is N#CCN(C(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-N-phenylcyclohexanecarboxamide?
The InChIKey is XEIQBPPWUURAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-11-12-17(14-9-5-2-6-10-14)15(18)13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,12H2.
What are the key properties of N-(cyanomethyl)-N-phenylcyclohexanecarboxamide?
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-phenylcyclohexanecarboxamide is sourced from PubChem (CID 82130138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).