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

C16H22N2O — CID 112516687

IUPAC4-cyano-N-(4-ethylphenyl)-5-methylhexanamide
SMILESCCc1ccc(NC(=O)CCC(C#N)C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-4-13-5-8-15(9-6-13)18-16(19)10-7-14(11-17)12(2)3/h5-6,8-9,12,14H,4,7,10H2,1-3H3,(H,18,19)
InChIKeyNUDPWCKZJGWONU-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.76
Rot. Bonds6

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

4-cyano-N-(4-ethylphenyl)-5-methylhexanamide (PubChem CID 112516687) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-cyano-N-(4-ethylphenyl)-5-methylhexanamide.

Molecular Properties

Compound Name4-cyano-N-(4-ethylphenyl)-5-methylhexanamide
PubChem CID112516687
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-cyano-N-(4-ethylphenyl)-5-methylhexanamide
SMILESCCc1ccc(NC(=O)CCC(C#N)C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-4-13-5-8-15(9-6-13)18-16(19)10-7-14(11-17)12(2)3/h5-6,8-9,12,14H,4,7,10H2,1-3H3,(H,18,19)
InChIKeyNUDPWCKZJGWONU-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

3-cyano-N-(4-ethylphenyl)-5-methylhexanamide
CID 112516654
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
CID 109013160
2-[(4-ethylphenyl)methyl]-3-methylbutanenitrile
CID 116931635
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-[4-(2-amino-3-methylbutyl)phenyl]butanamide
CID 82260021
3-[4-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 120690041
2-cyano-N-(4-ethylphenyl)-4-methyl-3-oxohexanamide
CID 47275770
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
ethyl 4-(4-ethylanilino)-4-oxobutanoate
CID 60636835
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-ethylphenyl)-5-methylhexanamide?
The IUPAC name of 4-cyano-N-(4-ethylphenyl)-5-methylhexanamide (CID 112516687) is 4-cyano-N-(4-ethylphenyl)-5-methylhexanamide.
What is the SMILES notation for 4-cyano-N-(4-ethylphenyl)-5-methylhexanamide?
The canonical SMILES for 4-cyano-N-(4-ethylphenyl)-5-methylhexanamide is CCc1ccc(NC(=O)CCC(C#N)C(C)C)cc1.
What is the InChIKey of 4-cyano-N-(4-ethylphenyl)-5-methylhexanamide?
The InChIKey is NUDPWCKZJGWONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-13-5-8-15(9-6-13)18-16(19)10-7-14(11-17)12(2)3/h5-6,8-9,12,14H,4,7,10H2,1-3H3,(H,18,19).
What are the key properties of 4-cyano-N-(4-ethylphenyl)-5-methylhexanamide?
4-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 4-cyano-N-(4-ethylphenyl)-5-methylhexanamide is sourced from PubChem (CID 112516687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).