N-Butyl-6,7-dihydroxynaphthalene-2-carboxamide

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Basic information

CAS: 136944-48-4
Standard SMILES: CCCCNC(=O)c1ccc2cc(O)c(O)cc2c1
InChIKey: HORNXRNFYWPKMB-UHFFFAOYSA-N
Molecular formula: C15H17NO3
Average molar mass: 259.3 g/mol
Monoisotopic mass: 259.1208434

Names & identifiers

Preferred name: N-Butyl-6,7-dihydroxynaphthalene-2-carboxamide
IUPAC: N-butyl-6,7-dihydroxynaphthalene-2-carboxamide
English name: N-Butyl-6,7-dihydroxy-2-naphthalenecarboxamide
Molecular formula: C15H17NO3
Molecular weight: 259.3

Names & synonyms

N-Butyl-6,7-dihydroxynaphthalene-2-carboxamide136944-48-4N-Butyl-6,7-dihydroxy-2-naphthalenecarboxamideDTXSID505680042-Naphthalenecarboxamide, N-butyl-6,7-dihydroxy-

Database identifiers

CAS: 136944-48-4
PubChem CID: 15086367
DTXSID: DTXSID50568004
Nikkaji: J415.819I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 69.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 308

Experimental & physicochemical properties

LogP2.72

Related reactions

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Compound notes

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