Basic information
- CAS
61905-84-8- Standard SMILES
Cc1c(C(=O)NNC(C)C)[nH]c2ccc(OCc3ccccc3)cc12- InChIKey
RLJOFJVMMNUCPH-UHFFFAOYSA-N- Molecular formula
- C20H23N3O2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.17902698
Overview
irreversibly inhibits mouse brain type A MAO; structure in first source
Names & identifiers
- Preferred name
- 1-(2-(3-Methyl-5-benzyloxyindolyl)carbonyl)-2-isopropyl hydrazide
- IUPAC
- 3-methyl-5-phenylmethoxy-N'-propan-2-yl-1H-indole-2-carbohydrazide
- English name
- 1-(2-(3-methyl-5-benzyloxyindolyl)carbonyl)-2-isopropyl hydrazide
- Molecular formula
- C20H23N3O2
- Molecular weight
- 337.42
Names & synonyms
61905-84-81-(2-(3-Methyl-5-benzyloxyindolyl)carbonyl)-2-isopropyl hydrazideDTXSID902109391H-Indole-2-carboxylic acid, 3-methyl-5-(phenylmethoxy)-, 2-(1-methylethyl)hydrazideRefChem:74033DTXCID70133430BRN 04462131H-3IH-31-(2-(3-Methyl)-5-benzyloxyindolyl)carbonyl-2-isopropylhydrazide3-Methyl-5-(phenylmethoxy)-1H-indole-2-carboxylic acid 2-(1-methylethyl)hydrazideSCHEMBL29363633
Show more names
3-Methyl-5-(benzyloxy)-1H-indole-2-carboxylic acid 2-isopropyl hydrazide
5-(Benzyloxy)-N'-isopropyl-3-methyl-1H-indole-2-carbohydrazide5-(benzyloxy)-3-methyl-N'-(propan-2-yl)-1H-indole-2-carbohydrazide
Database identifiers
- CAS
61905-84-8- PubChem CID
- 43849
- DTXSID
DTXSID90210939
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Melting point
- 186 · 186-187 °C(Solv: ethanol (64-17-5))
- Boiling point
- 518.2 · 518.2±50.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.43(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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