N-(2-methylphenyl)butanamide

Substructure search Find similar structures

Basic information

CAS: 33913-15-4
Standard SMILES: CCCC(=O)Nc1ccccc1C
InChIKey: CTKWAPPTXSVBQK-UHFFFAOYSA-N
Molecular formula: C11H15NO
Average molar mass: 177.24 g/mol
Monoisotopic mass: 177.1153641

Names & identifiers

Preferred name: N-(2-methylphenyl)butanamide
IUPAC: N-(2-methylphenyl)butanamide

Names & synonyms

N-(2-methylphenyl)butanamide33913-15-4NSC6878Butyryl-o-toluidinn-butyryl-o-toluidineN-butyryl-2-methylanilineSCHEMBL2896689SCHEMBL6658490DTXSID00955506CTKWAPPTXSVBQK-UHFFFAOYSA-NN-(2-Methylphenyl)butanimidic acidNSC-6878

Show more names

AKOS000346543AF-407/05487031

Database identifiers

CAS: 33913-15-4
PubChem CID: 221809
DTXSID: DTXSID00955506
Nikkaji: J2.725.392J

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 167

Related reactions

5 records

New reaction record

HRID 154191As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1168003As productuspto-grants-2003_09

HRID 1168004As reactantuspto-grants-2003_09

HRID 1168005As productuspto-grants-2003_09

HRID 1546310As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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