4-cyano-N-(2,6-dimethylphenyl)heptanamide

C16H22N2O — CID 112516684

IUPAC4-cyano-N-(2,6-dimethylphenyl)heptanamide
SMILESCCCC(C#N)CCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C16H22N2O/c1-4-6-14(11-17)9-10-15(19)18-16-12(2)7-5-8-13(16)3/h5,7-8,14H,4,6,9-10H2,1-3H3,(H,18,19)
InChIKeyYPOOGMBIBJYNPM-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.96
Rot. Bonds6

About 4-cyano-N-(2,6-dimethylphenyl)heptanamide

4-cyano-N-(2,6-dimethylphenyl)heptanamide (PubChem CID 112516684) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-cyano-N-(2,6-dimethylphenyl)heptanamide.

Molecular Properties

Compound Name4-cyano-N-(2,6-dimethylphenyl)heptanamide
PubChem CID112516684
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-cyano-N-(2,6-dimethylphenyl)heptanamide
SMILESCCCC(C#N)CCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C16H22N2O/c1-4-6-14(11-17)9-10-15(19)18-16-12(2)7-5-8-13(16)3/h5,7-8,14H,4,6,9-10H2,1-3H3,(H,18,19)
InChIKeyYPOOGMBIBJYNPM-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-(3,5-dimethylphenyl)heptanamide
CID 112516683
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821
4-cyano-N-(2,6-diethylphenyl)pentanamide
CID 112516692
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
[2-(2,6-dimethylanilino)-2-oxoethyl] thiocyanate
CID 5061616

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,6-dimethylphenyl)heptanamide?
The IUPAC name of 4-cyano-N-(2,6-dimethylphenyl)heptanamide (CID 112516684) is 4-cyano-N-(2,6-dimethylphenyl)heptanamide.
What is the SMILES notation for 4-cyano-N-(2,6-dimethylphenyl)heptanamide?
The canonical SMILES for 4-cyano-N-(2,6-dimethylphenyl)heptanamide is CCCC(C#N)CCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 4-cyano-N-(2,6-dimethylphenyl)heptanamide?
The InChIKey is YPOOGMBIBJYNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-6-14(11-17)9-10-15(19)18-16-12(2)7-5-8-13(16)3/h5,7-8,14H,4,6,9-10H2,1-3H3,(H,18,19).
What are the key properties of 4-cyano-N-(2,6-dimethylphenyl)heptanamide?
4-cyano-N-(2,6-dimethylphenyl)heptanamide has a molecular weight of 258.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,6-dimethylphenyl)heptanamide is sourced from PubChem (CID 112516684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).