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Home> Hot Product Listed 2   > 2-(1-naphthyloxy)acetamide
134507-62-3 structure

2-(1-naphthyloxy)acetamide

Iupac Name:methyl (1S,3S,4R,5R)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS No.:134507-62-3
Molecular Weight:321.348
Molecular Formula:C14H13N5OS (isomer)
Names and Identifiers
Synonyms

2-(naphthalen-1-yloxy)acetamide 2-naphthyloxyethanamide AC-907/25005191 AKOS002665049 mfcd00234788 MOLPORT-000-876-055 MS-7311 OPREA1_772941 OPREA1_864529 or10235 OR172647 SCHEMBL1614613 STK087986 ZINC2559922 zx-at022553

Inchi
InChI=1S/C17H20FNO4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14-,15+/m0/s1
InChkey
JRPRINGETIYVSV-LJISPDSOSA-N
Canonical Smiles
CN1C2CCC1C(C(C2)OC(=O)C3=CC=C(C=C3)F)C(=O)OC
Isomers Smiles
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=C(C=C3)F)C(=O)OC
Properties
Vapour
1.42E-06mmHg at 25°C
Refractive Index
1.556
Computational chemical data
  • Molecular Weight:321.348g/mol
  • Molecular Formula:C14H13N5OS
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.4
  • Exact Mass:321.138
  • Monoisotopic Mass:321.138
  • Complexity:464
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:55.8A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6OQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAABgAAAAABAAAAHwAAAAAADTzhmA4yCIMABACI AiDSCAACAAAkAAAIiAEICMgIJj6AtRiGMQAn4AGIqYeY2eOeAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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