4-cyano-N-(3,5-dimethylphenyl)heptanamide

C16H22N2O — CID 112516683

IUPAC4-cyano-N-(3,5-dimethylphenyl)heptanamide
SMILESCCCC(C#N)CCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H22N2O/c1-4-5-14(11-17)6-7-16(19)18-15-9-12(2)8-13(3)10-15/h8-10,14H,4-7H2,1-3H3,(H,18,19)
InChIKeyOOVBZZIJPIKNHH-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.96
Rot. Bonds6

About 4-cyano-N-(3,5-dimethylphenyl)heptanamide

4-cyano-N-(3,5-dimethylphenyl)heptanamide (PubChem CID 112516683) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-cyano-N-(3,5-dimethylphenyl)heptanamide.

Molecular Properties

Compound Name4-cyano-N-(3,5-dimethylphenyl)heptanamide
PubChem CID112516683
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-cyano-N-(3,5-dimethylphenyl)heptanamide
SMILESCCCC(C#N)CCC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H22N2O/c1-4-5-14(11-17)6-7-16(19)18-15-9-12(2)8-13(3)10-15/h8-10,14H,4-7H2,1-3H3,(H,18,19)
InChIKeyOOVBZZIJPIKNHH-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-(2,6-dimethylphenyl)heptanamide
CID 112516684
3-cyano-N-(4-propan-2-ylphenyl)hexanamide
CID 112516658
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide
CID 67275978
N-(3,5-dimethylphenyl)-2-(ethylamino)acetamide
CID 54820628
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
N-(3,5-dimethylphenyl)-3-(3-methyldiazirin-3-yl)propanamide
CID 171998477
4-cyano-N-(4-ethylphenyl)-5-methylhexanamide
CID 112516687
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
(2S)-2-(3,5-dimethylanilino)pentanoic acid
CID 40788515
N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
CID 104938592
N-(3,5-dimethylphenyl)-3-(3,5-dioxopyrazolidin-4-yl)propanamide
CID 110703727

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3,5-dimethylphenyl)heptanamide?
The IUPAC name of 4-cyano-N-(3,5-dimethylphenyl)heptanamide (CID 112516683) is 4-cyano-N-(3,5-dimethylphenyl)heptanamide.
What is the SMILES notation for 4-cyano-N-(3,5-dimethylphenyl)heptanamide?
The canonical SMILES for 4-cyano-N-(3,5-dimethylphenyl)heptanamide is CCCC(C#N)CCC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 4-cyano-N-(3,5-dimethylphenyl)heptanamide?
The InChIKey is OOVBZZIJPIKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-5-14(11-17)6-7-16(19)18-15-9-12(2)8-13(3)10-15/h8-10,14H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 4-cyano-N-(3,5-dimethylphenyl)heptanamide?
4-cyano-N-(3,5-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-(3,5-dimethylphenyl)heptanamide is sourced from PubChem (CID 112516683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).