N-[2-(diethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide
Basic information
- CAS
36337-81-2- Standard SMILES
CCN(CC)CCNC(=O)c1cc2ccccc2cc1O- InChIKey
QPSCKXFVFUDADB-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.16812795
Names & identifiers
- Preferred name
- N-[2-(diethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide
- IUPAC
- N-[2-(diethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamide
- English name
- 2-Hydroxy-3-naphthoic acid-2-(N,N-diethylamino)ethylamide
- Molecular formula
- C17H22N2O2
- Molecular weight
- 286.37
Names & synonyms
N-[2-(diethylamino)ethyl]-3-hydroxynaphthalene-2-carboxamideSCHEMBL11346310QPSCKXFVFUDADB-UHFFFAOYSA-NAKOS008461017N-(2-Diethylaminoethyl)-3-hydroxy-2-naphthamide2-Hydroxy-3-naphthoic acid-2-(N,N-diethylamino)ethylamide2-Naphthalenecarboxamide, N-[2-(diethylamino)ethyl]-3-hydroxy-
Database identifiers
- CAS
36337-81-2- PubChem CID
- 408793
- Nikkaji
- J40.519A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 489.1 · 489.1±30.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 8.75 · 8.75±0.40(Predicted)
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Compound notes
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