Basic information
- CAS
18188-78-8- Standard SMILES
CCN(CC)CC(=O)Nc1ccc(NC(=O)CN(CC)CC)c(=O)cc1- InChIKey
VAAJQRJXWITFFJ-UHFFFAOYSA-N- Molecular formula
- C19H30N4O3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.23179083
Names & identifiers
- Preferred name
- Acetamide, N,N'-(7-oxo-1,3,5-cycloheptatrien-1,4-ylene)bis(2-(diethylamino)-
- IUPAC
- 2-(diethylamino)-N-[4-[[2-(diethylamino)acetyl]amino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
Names & synonyms
2,5-Bis(diethylaminoacetamido)troponeBRN 2775992ACETAMIDE, N,N'-(7-OXO-1,3,5-CYCLOHEPTATRIEN-1,4-YLENE)BIS(2-(DIETHYLAMINO)-18188-78-8DTXSID00171204N,N'-(7-Oxo-1,3,5-cycloheptatrien-1,4-ylene)bis(2-(diethylamino)acetamide)RefChem:314773DTXCID4093695N,N'-(7-Oxocyclohepta-1,3,5-triene-1,4-diyl)bis[2-(diethylamino)acetamide]
Database identifiers
- CAS
18188-78-8- PubChem CID
- 28944
- DTXSID
DTXSID00171204
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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