3-[[[2-Methyl-5-(2-methylpropyl)-3-furanyl]carbonyl]amino]benzoic acid
Basic information
- CAS
443749-34-6- Standard SMILES
Cc1oc(CC(C)C)cc1C(=O)Nc1cccc(C(=O)O)c1- InChIKey
YJDYOVSWAKACAL-UHFFFAOYSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Names & identifiers
- Preferred name
- 3-[[[2-Methyl-5-(2-methylpropyl)-3-furanyl]carbonyl]amino]benzoic acid
- IUPAC
- 3-[[2-methyl-5-(2-methylpropyl)furan-3-carbonyl]amino]benzoic acid
Names & synonyms
443749-34-63-[[[2-Methyl-5-(2-methylpropyl)-3-furanyl]carbonyl]amino]benzoic acid3-(((2-Methyl-5-(2-methylpropyl)-3-furanyl)carbonyl)amino)benzoic acidRefChem:2728253-[[2-methyl-5-(2-methylpropyl)furan-3-carbonyl]amino]benzoic acid3-[(5-Isobutyl-2-methyl-3-furoyl)amino]benzoic acid3-{[2-Methyl-5-(2-methylpropyl)furan-3-carbonyl]amino}benzoic acid3-[(5-Isobutyl-2-methyl-furan-3-carbonyl)-amino]-benzoic acidOprea1_295683Oprea1_723774YJDYOVSWAKACAL-UHFFFAOYSA-NDTXSID101154813
Show more names
HMS1587B06HTS00039STK677715AKOS001755283AG-205/407762613-[(5-Isobutyl-2-methyl-3-furoyl)amino]benzoic acid #3-({[2-methyl-5-(2-methylpropyl)furan-3-yl]carbonyl}amino)benzoic acid
Database identifiers
- CAS
443749-34-6- PubChem CID
- 596572
- DTXSID
DTXSID101154813
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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