N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide

C18H24N2O — CID 61118969

IUPACN-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
SMILESCCC1CCC(C#N)(NC(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C18H24N2O/c1-4-15-7-9-18(12-19,10-8-15)20-17(21)16-11-13(2)5-6-14(16)3/h5-6,11,15H,4,7-10H2,1-3H3,(H,20,21)
InChIKeyLEZBBGMXAPXDLW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.90
Rot. Bonds3

About N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide

N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide (PubChem CID 61118969) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
PubChem CID61118969
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
SMILESCCC1CCC(C#N)(NC(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C18H24N2O/c1-4-15-7-9-18(12-19,10-8-15)20-17(21)16-11-13(2)5-6-14(16)3/h5-6,11,15H,4,7-10H2,1-3H3,(H,20,21)
InChIKeyLEZBBGMXAPXDLW-UHFFFAOYSA-N
XLogP3.90
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide
CID 107961621
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide
CID 61120747
3-bromo-N-(1-cyano-4-ethylcyclohexyl)-5-fluorobenzamide
CID 61120820
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 87017526
N-(1-cyanocyclopentyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87017525
N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide
CID 61119370
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490
1-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65393065
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid
CID 136550006

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide (CID 61118969) is N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide is CCC1CCC(C#N)(NC(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide?
The InChIKey is LEZBBGMXAPXDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-15-7-9-18(12-19,10-8-15)20-17(21)16-11-13(2)5-6-14(16)3/h5-6,11,15H,4,7-10H2,1-3H3,(H,20,21).
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide?
N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide has a molecular weight of 284.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 61118969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).