3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide

C14H24N2O — CID 115174087

IUPAC3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCC#N)C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(2,12-7-4-3-5-8-12)11-16-13(17)9-6-10-15/h12H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyOLOCGGZTRMFQLJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds5

About 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide

3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide (PubChem CID 115174087) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
PubChem CID115174087
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
SMILESCC(C)(CNC(=O)CCC#N)C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(2,12-7-4-3-5-8-12)11-16-13(17)9-6-10-15/h12H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyOLOCGGZTRMFQLJ-UHFFFAOYSA-N
XLogP3.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115174091
N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545
3-amino-N-(2-cyclopentyl-2-methylpropyl)propanamide
CID 115153176
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
CID 115167608
4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165302
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
CID 115154472
2-cyano-N-(2-methyl-2-piperidin-4-ylpropyl)acetamide
CID 165439509
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115173463
3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide
CID 115184886
1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide?
The IUPAC name of 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide (CID 115174087) is 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide.
What is the SMILES notation for 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide?
The canonical SMILES for 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide is CC(C)(CNC(=O)CCC#N)C1CCCCC1.
What is the InChIKey of 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide?
The InChIKey is OLOCGGZTRMFQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,12-7-4-3-5-8-12)11-16-13(17)9-6-10-15/h12H,3-9,11H2,1-2H3,(H,16,17).
What are the key properties of 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide?
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide has a molecular weight of 236.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide is sourced from PubChem (CID 115174087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).