3-cyano-N-(4-propan-2-ylphenyl)hexanamide

C16H22N2O — CID 112516658

IUPAC3-cyano-N-(4-propan-2-ylphenyl)hexanamide
SMILESCCCC(C#N)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-4-5-13(11-17)10-16(19)18-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyGWXLJTIFLUVZAI-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.08
Rot. Bonds6

About 3-cyano-N-(4-propan-2-ylphenyl)hexanamide

3-cyano-N-(4-propan-2-ylphenyl)hexanamide (PubChem CID 112516658) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-cyano-N-(4-propan-2-ylphenyl)hexanamide.

Molecular Properties

Compound Name3-cyano-N-(4-propan-2-ylphenyl)hexanamide
PubChem CID112516658
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-cyano-N-(4-propan-2-ylphenyl)hexanamide
SMILESCCCC(C#N)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-4-5-13(11-17)10-16(19)18-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyGWXLJTIFLUVZAI-UHFFFAOYSA-N
XLogP4.08
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(4-propan-2-ylphenyl)butanamide
CID 82115706
3-cyano-N-(4-ethylphenyl)-5-methylhexanamide
CID 112516654
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-(cyanomethylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 47166085
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
4-cyano-N-(3,5-dimethylphenyl)heptanamide
CID 112516683
3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
CID 110178597
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 14879850
N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 4567279
(2S)-2-[[4-oxo-4-(4-propan-2-ylanilino)butan-2-yl]amino]propanoic acid
CID 122038999
4-oxo-2-(pentylamino)-4-(4-propan-2-ylanilino)butanoic acid
CID 3355492

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-propan-2-ylphenyl)hexanamide?
The IUPAC name of 3-cyano-N-(4-propan-2-ylphenyl)hexanamide (CID 112516658) is 3-cyano-N-(4-propan-2-ylphenyl)hexanamide.
What is the SMILES notation for 3-cyano-N-(4-propan-2-ylphenyl)hexanamide?
The canonical SMILES for 3-cyano-N-(4-propan-2-ylphenyl)hexanamide is CCCC(C#N)CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-cyano-N-(4-propan-2-ylphenyl)hexanamide?
The InChIKey is GWXLJTIFLUVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-5-13(11-17)10-16(19)18-15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 3-cyano-N-(4-propan-2-ylphenyl)hexanamide?
3-cyano-N-(4-propan-2-ylphenyl)hexanamide has a molecular weight of 258.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-propan-2-ylphenyl)hexanamide is sourced from PubChem (CID 112516658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).