Basic information
- CAS
18144-62-2- Standard SMILES
CCN(CC)C(=O)c1cc2ccccc2oc1=O- InChIKey
DIHKPWRAFNUESX-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.10519334
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxamide, N,N-diethyl-2-oxo-
- IUPAC
- N,N-diethyl-2-oxochromene-3-carboxamide
Names & synonyms
N,N-Diethyl-3-coumarincarboxamide18144-62-2BRN 0216665N,N-Diethyl-2-oxo-2H-1-benzopyran-3-carboxamide2H-1-BENZOPYRAN-3-CARBOXAMIDE, N,N-DIETHYL-2-OXO-Coumarin-3-carboxylic acid diethylamideDTXSID301711564-18-00-05572 (Beilstein Handbook Reference)RefChem:268323DTXCID4093647N,N-diethyl-2-oxochromene-3-carboxamideN,N-diethyl-2-oxo-2H-chromene-3-carboxamide
Show more names
Oprea1_630092Oprea1_650749SCHEMBL28997586HMS1580B03AKOS002947719AB00079752-01SR-01000203771SR-01000203771-1
Database identifiers
- CAS
18144-62-2- PubChem CID
- 28922
- DTXSID
DTXSID30171156- Nikkaji
- J132.078E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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