Basic information
- CAS
328910-38-9- Standard SMILES
Cc1cccc(OCC(=O)N/N=C/c2cccn2C)c1- InChIKey
RNTZYXKPKLGEIH-MHWRWJLKSA-N- Molecular formula
- C15H17N3O2
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.13207679
Names & identifiers
- Preferred name
- 2-(3-methylphenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
- IUPAC
- 2-(3-methylphenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Names & synonyms
2-(3-methylphenoxy)-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide2-(3-methylphenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide328910-38-9MLS000768553CHEMBL3207482DTXSID801325093STK745516AKOS005527164SMR000431874(E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-(m-tolyloxy)acetohydrazidem-Tolyloxy-acetic acid [1-(1-methyl-1H-pyrrol-2-yl)-meth-(E)-ylidene]-hydrazide
Database identifiers
- CAS
328910-38-9- PubChem CID
- 6879005
- DTXSID
DTXSID801325093- ChEMBL
CHEMBL3207482
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
Solubility24.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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