4,4-Bis[4-[(2-ethoxy-2-oxoethyl)carbamoyloxy]phenyl]pentanoic acid
Basic information
- CAS
7403-62-5- Standard SMILES
CCOC(=O)CNC(=O)Oc1ccc(C(C)(CCC(=O)O)c2ccc(OC(=O)NCC(=O)OCC)cc2)cc1- InChIKey
LKRRHDFSRFFJPZ-UHFFFAOYSA-N- Molecular formula
- C27H32N2O10
- Average molar mass
- 544.5 g/mol
- Monoisotopic mass
- 544.20569522
Names & identifiers
- Preferred name
- 4,4-Bis[4-[(2-ethoxy-2-oxoethyl)carbamoyloxy]phenyl]pentanoic acid
- IUPAC
- 4,4-bis[4-[(2-ethoxy-2-oxoethyl)carbamoyloxy]phenyl]pentanoic acid
Names & synonyms
7403-62-5NSC54691DTXSID50288199NSC-546914,4-Bis(4-{[(2-ethoxy-2-oxoethyl)carbamoyl]oxy}phenyl)pentanoic acid
Database identifiers
- CAS
7403-62-5- PubChem CID
- 244115
- DTXSID
DTXSID50288199
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 776
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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