4-(2-cyano-6-methylphenyl)butanamide

C12H14N2O — CID 173253243

IUPAC4-(2-cyano-6-methylphenyl)butanamide
SMILESCc1cccc(C#N)c1CCCC(N)=O
InChIInChI=1S/C12H14N2O/c1-9-4-2-5-10(8-13)11(9)6-3-7-12(14)15/h2,4-5H,3,6-7H2,1H3,(H2,14,15)
InChIKeyODJVSIAJSRXNHU-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.67
Rot. Bonds4

About 4-(2-cyano-6-methylphenyl)butanamide

4-(2-cyano-6-methylphenyl)butanamide (PubChem CID 173253243) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(2-cyano-6-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-cyano-6-methylphenyl)butanamide
PubChem CID173253243
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(2-cyano-6-methylphenyl)butanamide
SMILESCc1cccc(C#N)c1CCCC(N)=O
InChIInChI=1S/C12H14N2O/c1-9-4-2-5-10(8-13)11(9)6-3-7-12(14)15/h2,4-5H,3,6-7H2,1H3,(H2,14,15)
InChIKeyODJVSIAJSRXNHU-UHFFFAOYSA-N
XLogP1.67
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloropropyl)-3-methylbenzonitrile
CID 118847834
ethyl 3-(2-amino-6-cyanophenyl)propanoate
CID 174437969
4-(2-methylphenyl)butanamide
CID 22103596
3-[3-(2,6-dimethylphenyl)propanoyl]benzonitrile
CID 24726384
methanamine;2-methylbenzonitrile
CID 144641248
methyl 3-[2-cyano-6-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 134653429
3-(2-cyano-6-methylanilino)-3-methylbutanamide
CID 106096700
ethyl 3-cyano-2-(3-cyanopropyl)benzoate
CID 102168592
4-(2-amino-6-methylphenyl)butanoic acid
CID 83853038
3-(2-cyano-6-methylphenyl)prop-2-enamide
CID 169481801
2-(2-cyano-6-methylanilino)ethylurea
CID 107107166
3-(2-amino-3-cyanoanilino)propanamide
CID 104716331

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-6-methylphenyl)butanamide?
The IUPAC name of 4-(2-cyano-6-methylphenyl)butanamide (CID 173253243) is 4-(2-cyano-6-methylphenyl)butanamide.
What is the SMILES notation for 4-(2-cyano-6-methylphenyl)butanamide?
The canonical SMILES for 4-(2-cyano-6-methylphenyl)butanamide is Cc1cccc(C#N)c1CCCC(N)=O.
What is the InChIKey of 4-(2-cyano-6-methylphenyl)butanamide?
The InChIKey is ODJVSIAJSRXNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-4-2-5-10(8-13)11(9)6-3-7-12(14)15/h2,4-5H,3,6-7H2,1H3,(H2,14,15).
What are the key properties of 4-(2-cyano-6-methylphenyl)butanamide?
4-(2-cyano-6-methylphenyl)butanamide has a molecular weight of 202.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-6-methylphenyl)butanamide is sourced from PubChem (CID 173253243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).