3-{2-[5-Methyl-2-(propan-2-yl)phenoxy]acetamido}benzoic acid
Basic information
- CAS
649773-89-7- Standard SMILES
Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(=O)O)c2)c1- InChIKey
ZEGZGOJKNKTELH-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- 3-{2-[5-Methyl-2-(propan-2-yl)phenoxy]acetamido}benzoic acid
- IUPAC
- 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
Names & synonyms
649773-89-73-{2-[5-Methyl-2-(propan-2-yl)phenoxy]acetamido}benzoic acidBenzoic acid, 3-[[[5-methyl-2-(1-methylethyl)phenoxy]acetyl]amino]-SCHEMBL2959883DTXSID00435090AKOS000106502DA-03955
Database identifiers
- CAS
649773-89-7- PubChem CID
- 10065002
- DTXSID
DTXSID00435090
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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