3-cyano-N-(4-ethylphenyl)-5-methylhexanamide

C16H22N2O — CID 112516654

IUPAC3-cyano-N-(4-ethylphenyl)-5-methylhexanamide
SMILESCCc1ccc(NC(=O)CC(C#N)CC(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-4-13-5-7-15(8-6-13)18-16(19)10-14(11-17)9-12(2)3/h5-8,12,14H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyZBXFVJVYEOABPI-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.76
Rot. Bonds6

About 3-cyano-N-(4-ethylphenyl)-5-methylhexanamide

3-cyano-N-(4-ethylphenyl)-5-methylhexanamide (PubChem CID 112516654) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-cyano-N-(4-ethylphenyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-cyano-N-(4-ethylphenyl)-5-methylhexanamide
PubChem CID112516654
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-cyano-N-(4-ethylphenyl)-5-methylhexanamide
SMILESCCc1ccc(NC(=O)CC(C#N)CC(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-4-13-5-7-15(8-6-13)18-16(19)10-14(11-17)9-12(2)3/h5-8,12,14H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyZBXFVJVYEOABPI-UHFFFAOYSA-N
XLogP3.76
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-(4-ethylphenyl)-5-methylhexanamide
CID 112516687
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
3-cyano-N-(4-propan-2-ylphenyl)hexanamide
CID 112516658
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790
2-cyano-N-(4-ethylphenyl)-4-methyl-3-oxohexanamide
CID 47275770
2-methyl-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid
CID 115164929
3-cyano-N-(4-propan-2-ylphenyl)butanamide
CID 82115706
1-(4-ethylphenyl)-3-methylurea
CID 54250791
ethane;N-(4-ethylphenyl)-4-methyl-2-(methylamino)pentanamide;molecular hydrogen
CID 142243925

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-ethylphenyl)-5-methylhexanamide?
The IUPAC name of 3-cyano-N-(4-ethylphenyl)-5-methylhexanamide (CID 112516654) is 3-cyano-N-(4-ethylphenyl)-5-methylhexanamide.
What is the SMILES notation for 3-cyano-N-(4-ethylphenyl)-5-methylhexanamide?
The canonical SMILES for 3-cyano-N-(4-ethylphenyl)-5-methylhexanamide is CCc1ccc(NC(=O)CC(C#N)CC(C)C)cc1.
What is the InChIKey of 3-cyano-N-(4-ethylphenyl)-5-methylhexanamide?
The InChIKey is ZBXFVJVYEOABPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-13-5-7-15(8-6-13)18-16(19)10-14(11-17)9-12(2)3/h5-8,12,14H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 3-cyano-N-(4-ethylphenyl)-5-methylhexanamide?
3-cyano-N-(4-ethylphenyl)-5-methylhexanamide has a molecular weight of 258.36 g/mol, XLogP of 3.76, 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-ethylphenyl)-5-methylhexanamide is sourced from PubChem (CID 112516654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).