3-{2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]acetamido}-N-(2-methoxy-5-nitrophenyl)benzamide
Basic information
- CAS
5230-90-0- Standard SMILES
CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)c(C(C)(C)CC)c1- InChIKey
AYYHINXNZWTJFC-UHFFFAOYSA-N- Molecular formula
- C32H39N3O6
- Average molar mass
- 561.7 g/mol
- Monoisotopic mass
- 561.28388597
Names & identifiers
- Preferred name
- 3-{2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]acetamido}-N-(2-methoxy-5-nitrophenyl)benzamide
- IUPAC
- 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-nitrophenyl)benzamide
Names & synonyms
5230-90-03-{2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]acetamido}-N-(2-methoxy-5-nitrophenyl)benzamide3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-nitrophenyl)benzamideOprea1_004685Oprea1_690395DTXSID10385451
Database identifiers
- CAS
5230-90-0- PubChem CID
- 2835535
- DTXSID
DTXSID10385451
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 887
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…