Basic information
- CAS
18189-55-4- Standard SMILES
CC(=O)Nc1ccc(NCCN2CCOCC2)c(=O)cc1- InChIKey
GHBHPRNDCVLMOU-UHFFFAOYSA-N- Molecular formula
- C15H21N3O3
- Average molar mass
- 291.35 g/mol
- Monoisotopic mass
- 291.15829154
Names & identifiers
- Preferred name
- Acetamide, N-(4-((2-morpholinoethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
- IUPAC
- N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
- English name
- N-[4-[(2-Morpholinoethyl)amino]-5-oxo-1,3,6-cycloheptatrien-1-yl]acetamide
- Molecular formula
- C15H21N3O3
- Molecular weight
- 291.35
Names & synonyms
18189-55-4BRN 1015573ACETAMIDE, N-(4-((2-MORPHOLINOETHYL)AMINO)-5-OXO-1,3,6-CYCLOHEPTATRIEN-1-YL)-2-(beta-Morpholinoethylamino-5-acetamido)troponeN-(4-((2-Morpholinoethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)acetamideDTXSID70171216RefChem:315277DTXCID1093707N-[4-(2-morpholin-4-ylethylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamideN-(4-{[2-(morpholin-4-yl)ethyl]amino}-5-oxocyclohepta-1,3,6-trien-1-yl)acetamideN-[4-[(2-Morpholinoethyl)amino]-5-oxo-1,3,6-cycloheptatrien-1-yl]acetamideAcetamide, N-[4-[[2-(4-morpholinyl)ethyl]amino]-5-oxo-1,3,6-cycloheptatrien-1-yl]-
Database identifiers
- CAS
18189-55-4- PubChem CID
- 28958
- DTXSID
DTXSID70171216- Nikkaji
- J73.491H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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