Propanamide, N-hexyl-2-methyl

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Basic information

CAS: 122348-68-9
Standard SMILES: CCCCCCNC(=O)C(C)C
InChIKey: JCQNCGYMFKRRII-UHFFFAOYSA-N
Molecular formula: C10H21NO
Average molar mass: 171.28 g/mol
Monoisotopic mass: 171.16231429

Names & identifiers

Preferred name: Propanamide, N-hexyl-2-methyl
IUPAC: N-hexyl-2-methylpropanamide

Names & synonyms

Propanamide, N-hexyl-2-methylN-hexyl-2-methylpropanamidehexyl isobutyramideIsobutyramide, N-hexyl-SCHEMBL5059517SCHEMBL7302850SCHEMBL9113674JCQNCGYMFKRRII-UHFFFAOYSA-NDTXSID301310497AKOS003867855122348-68-9

Database identifiers

CAS: 122348-68-9
PubChem CID: 528632
DTXSID: DTXSID301310497

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 121

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Compound notes

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