Basic information
- CAS
254762-74-8- Standard SMILES
CCC(CC)C(=O)Nc1cc(C(=O)O)ccc1NC(C)=O- InChIKey
USKXJFHTBQWXCS-UHFFFAOYSA-N- Molecular formula
- C15H20N2O4
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.14230712
Names & identifiers
- Preferred name
- 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid
- IUPAC
- 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid
Names & synonyms
4-(n-acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid4-acetamido-3-(2-ethylbutanamido)benzoic acid4-(N-ACETYLAMINO)-3-(N-(2-ETHYLBUTANOYLAMINO))BENZOIC ACIDRefChem:516490254762-74-8Benzoic Acid Inhibitor 61b9s4-acetamido-3-(2-ethylbutanoylamino)benzoic acidBDBM5267SCHEMBL23752428DTXSID501195481Benzoic acid, 4-(acetylamino)-3-[(2-ethyl-1-oxobutyl)amino]-
Show more names
DB07762FDIPD005487NS00068989Q270969814-(acetylamino)-3-[(2-ethylbutanoyl)amino]benzoic acid4-(Acetylamino)-3-[(2-ethyl-1-oxobutyl)amino]benzoic acid4-(N-Acetylamino)-3-[N-(2-ethylbutanoyl)amino]benzoic acid
Database identifiers
- CAS
254762-74-8- PubChem CID
- 1708
- DTXSID
DTXSID501195481- Nikkaji
- J1.227.696F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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