Basic information
- CAS
7146-52-3- Standard SMILES
CCCCC(CC)C(=O)OCCCNC(=O)C(C)OC(=O)C(CC)CCCC- InChIKey
PIVXTLFIOLOFOJ-UHFFFAOYSA-N- Molecular formula
- C22H41NO5
- Average molar mass
- 399.6 g/mol
- Monoisotopic mass
- 399.29847341
Names & identifiers
- Preferred name
- 3-({2-[(2-Ethylhexanoyl)oxy]propanoyl}amino)propyl 2-ethylhexanoate
- IUPAC
- 3-[2-(2-ethylhexanoyloxy)propanoylamino]propyl 2-ethylhexanoate
Names & synonyms
7146-52-33-({2-[(2-ethylhexanoyl)oxy]propanoyl}amino)propyl 2-ethylhexanoateNSC23467DTXSID40281912NSC-234673-{2-[(2-ETHYLHEXANOYL)OXY]PROPANAMIDO}PROPYL 2-ETHYLHEXANOATE2-ethyl-hexanoic acid 1-[3-(2-ethyl-hexanoyloxy)-propylcarbamoyl]-ethyl ester
Database identifiers
- CAS
7146-52-3- PubChem CID
- 229646
- DTXSID
DTXSID40281912
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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