Basic information
- CAS
304890-52-6- Standard SMILES
CC(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)O)c1- InChIKey
KAGNFYNPIBRHJS-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Names & identifiers
- Preferred name
- Benzoic acid, 3-[[[2-(1-methylethyl)phenoxy]acetyl]amino]-
- IUPAC
- 3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
- English name
- 3-(2-(2-isopropylphenoxy)acetamido)benzoic acid
- Molecular formula
- C18H19NO4
- Molecular weight
- 313.35
Names & synonyms
304890-52-63-(2-(2-isopropylphenoxy)acetamido)benzoic acidBenzoic acid, 3-[[[2-(1-methylethyl)phenoxy]acetyl]amino]-Benzoic acid, 3-[[2-[2-(1-methylethyl)phenoxy]acetyl]amino]-CBMicro_0317243-{2-[2-(methylethyl)phenoxy]acetylamino}benzoic acid3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acidOprea1_439436SCHEMBL2959646DTXSID00351342SBB015120AKOS000272787
Show more names
DA-07111ST024085BIM-0031778.P001SR-01000219152SR-01000219152-13-{2-[2-(Propan-2-yl)phenoxy]acetamido}benzoic acid3-(((2-ISOPROPYLPHENOXY)ACETYL)AMINO)BENZOIC ACID
Database identifiers
- CAS
304890-52-6- PubChem CID
- 698199
- DTXSID
DTXSID00351342- EC Number
- 104-067-8
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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