N,N'-(Hexane-1,6-diyl)bis[3,5-bis(3-aminopropoxy)benzamide]
Basic information
- CAS
578741-25-0- Standard SMILES
NCCCOc1cc(OCCCN)cc(C(=O)NCCCCCCNC(=O)c2cc(OCCCN)cc(OCCCN)c2)c1- InChIKey
IWTFICYOSHLBJB-UHFFFAOYSA-N- Molecular formula
- C32H52N6O6
- Average molar mass
- 616.8 g/mol
- Monoisotopic mass
- 616.3948334
Names & identifiers
- Preferred name
- N,N'-(Hexane-1,6-diyl)bis[3,5-bis(3-aminopropoxy)benzamide]
- IUPAC
- 3,5-bis(3-aminopropoxy)-N-[6-[[3,5-bis(3-aminopropoxy)benzoyl]amino]hexyl]benzamide
Names & synonyms
578741-25-0N,N'-(Hexane-1,6-diyl)bis[3,5-bis(3-aminopropoxy)benzamide]DTXSID90849864
Database identifiers
- CAS
578741-25-0- PubChem CID
- 71440904
- DTXSID
DTXSID90849864
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 25
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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