N-propan-2-yl-9H-xanthene-9-carboxamide
Basic information
- CAS
349401-27-0- Standard SMILES
CC(C)NC(=O)C1c2ccccc2Oc2ccccc21- InChIKey
UMWJJFZQCQXIID-UHFFFAOYSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.12592879
Names & identifiers
- Preferred name
- N-propan-2-yl-9H-xanthene-9-carboxamide
- IUPAC
- N-propan-2-yl-9H-xanthene-9-carboxamide
Names & synonyms
N-(propan-2-yl)-9H-xanthene-9-carboxamideN-propan-2-yl-9H-xanthene-9-carboxamide9H-Xanthene-9-carboxylic acid isopropylamideOprea1_422389Oprea1_603112349401-27-0MLS001210701CHEMBL1500171DTXSID501321161HMS1612A14HMS2843M09STL260748
Show more names
AKOS000644157CCG-110391N-(methylethyl)xanthen-9-ylcarboxamideSMR000516225ST50301368N-ISOPROPYL-9H-XANTHENE-9-CARBOXAMIDE
Database identifiers
- CAS
349401-27-0- PubChem CID
- 718111
- DTXSID
DTXSID501321161- ChEMBL
CHEMBL1500171
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
Solubility1.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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