3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
Basic information
- CAS
852136-26-6- Standard SMILES
COc1cccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1- InChIKey
YIHYHDHWBNQFDF-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
- IUPAC
- 3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
Names & synonyms
3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide852136-26-63-methoxy-N-((2-methyl-1H-indol-5-yl)methyl)benzamideMLS000419250F0651-0033CHEMBL1470524DTXSID701326074HMS2692E23AKOS024591870SMR000319959SR-01000130453SR-01000130453-1
Database identifiers
- CAS
852136-26-6- PubChem CID
- 4549486
- DTXSID
DTXSID701326074- ChEMBL
CHEMBL1470524
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
Solubility15.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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