N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide

C22H24N2O — CID 52688629

IUPACN-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide
SMILESN#CCN(Cc1ccccc1)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H24N2O/c23-15-16-24(17-18-7-3-1-4-8-18)22(25)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,16-17H2
InChIKeyOMNVCGNGXUOEJG-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.90
Rot. Bonds5

About N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide

N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide (PubChem CID 52688629) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide
PubChem CID52688629
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide
SMILESN#CCN(Cc1ccccc1)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H24N2O/c23-15-16-24(17-18-7-3-1-4-8-18)22(25)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,16-17H2
InChIKeyOMNVCGNGXUOEJG-UHFFFAOYSA-N
XLogP4.90
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.90
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

N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
CID 61035902
N-benzyl-3,5-dibromo-N-(cyanomethyl)benzamide
CID 103908093
4-amino-N-benzyl-N-(cyanomethyl)-3-methylbenzamide
CID 61041630
N-benzyl-4-bromo-3-chloro-N-(cyanomethyl)benzamide
CID 80973098
N-benzyl-N-(cyanomethyl)furan-2-carboxamide
CID 61035761
N-benzyl-2-bromo-N-(cyanomethyl)-6-fluorobenzamide
CID 114559561
1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile
CID 116920814
(E)-4-[benzyl(cyanomethyl)amino]-4-oxobut-2-enoic acid
CID 54916537
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclobutane-1-carboxamide
CID 115448218
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005731
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide?
The IUPAC name of N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide (CID 52688629) is N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide.
What is the SMILES notation for N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide?
The canonical SMILES for N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide is N#CCN(Cc1ccccc1)C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide?
The InChIKey is OMNVCGNGXUOEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c23-15-16-24(17-18-7-3-1-4-8-18)22(25)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,16-17H2.
What are the key properties of N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide?
N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide has a molecular weight of 332.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide is sourced from PubChem (CID 52688629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).