3-[[2-(3,4-Dimethoxyphenyl)acetyl]amino]benzoic acid
Basic information
- CAS
330635-42-2- Standard SMILES
COc1ccc(CC(=O)Nc2cccc(C(=O)O)c2)cc1OC- InChIKey
RXUXFIUODVTDBH-UHFFFAOYSA-N- Molecular formula
- C17H17NO5
- Average molar mass
- 315.32 g/mol
- Monoisotopic mass
- 315.11067264
Names & identifiers
- Preferred name
- 3-[[2-(3,4-Dimethoxyphenyl)acetyl]amino]benzoic acid
- IUPAC
- 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
Names & synonyms
3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid330635-42-23-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoic acid3-[2-(3,4-DIMETHOXYPHENYL)ACETAMIDO]BENZOIC ACIDCBKinase1_000699CBKinase1_013099Oprea1_212001Oprea1_674484DTXSID901218633STK096832AKOS003241829ST4037070
Show more names
3-[2-(3,4-dimethoxyphenyl)acetylamino]benzoic acidBRD-K45429274-001-01-0
Database identifiers
- CAS
330635-42-2- PubChem CID
- 694592
- DTXSID
DTXSID901218633
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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