n-(Biphenyl-2-yl)-3-methylbutanamide

HCID 225538

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Basic information

CAS: 5439-23-6
Standard SMILES: CC(C)CC(=O)Nc1ccccc1-c1ccccc1
InChIKey: AGVHQHNPCTYIDJ-UHFFFAOYSA-N
Molecular formula: C17H19NO
Average molar mass: 253.34 g/mol
Monoisotopic mass: 253.14666423

Names & identifiers

Preferred name: n-(Biphenyl-2-yl)-3-methylbutanamide
IUPAC: 3-methyl-N-(2-phenylphenyl)butanamide

Names & synonyms

5439-23-6n-(biphenyl-2-yl)-3-methylbutanamideNSC15079DTXSID80280005NSC-15079AKOS007971222DS-007293Butanamide, n-[1,1-biphenyl]-2-yl-3-methyl-N-([1,1'-Biphenyl]-2-yl)-3-methylbutanamideZ26546036

Database identifiers

CAS: 5439-23-6
PubChem CID: 225538
DTXSID: DTXSID80280005

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 281

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