N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide

C18H24N2O — CID 61119370

IUPACN-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide
SMILESCCC1CCC(C#N)(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-15-10-12-18(14-19,13-11-15)20-17(21)9-8-16-6-4-3-5-7-16/h3-7,15H,2,8-13H2,1H3,(H,20,21)
InChIKeyFQLIMSOCWDTSBN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.60
Rot. Bonds5

About N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide

N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide (PubChem CID 61119370) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide
PubChem CID61119370
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide
SMILESCCC1CCC(C#N)(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c1-2-15-10-12-18(14-19,13-11-15)20-17(21)9-8-16-6-4-3-5-7-16/h3-7,15H,2,8-13H2,1H3,(H,20,21)
InChIKeyFQLIMSOCWDTSBN-UHFFFAOYSA-N
XLogP3.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide
CID 62366218
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
CID 78830459
N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
CID 78830549
N-(1-cyano-4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208222
1-benzyl-3-(1-cyano-4-methylcyclohexyl)urea
CID 107653431
N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
CID 61118969
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
3-bromo-N-(1-cyano-4-ethylcyclohexyl)-5-fluorobenzamide
CID 61120820
N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944552

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide (CID 61119370) is N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide is CCC1CCC(C#N)(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide?
The InChIKey is FQLIMSOCWDTSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-15-10-12-18(14-19,13-11-15)20-17(21)9-8-16-6-4-3-5-7-16/h3-7,15H,2,8-13H2,1H3,(H,20,21).
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide?
N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 3.60, 5 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)-3-phenylpropanamide is sourced from PubChem (CID 61119370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).