8-allyl-N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
Basic information
- CAS
313268-05-2- Standard SMILES
C=CCc1cccc2cc(C(=O)Nc3ccc(CC)cc3)c(=O)oc12- InChIKey
CBBTWFIJEKHTTM-UHFFFAOYSA-N- Molecular formula
- C21H19NO3
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.13649347
Names & identifiers
- Preferred name
- 8-allyl-N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
- IUPAC
- N-(4-ethylphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
Names & synonyms
313268-05-28-allyl-N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamideN-(4-Ethylphenyl)-2-oxo-8-(2-propen-1-yl)-2H-1-benzopyran-3-carboxamideN-(4-Ethylphenyl)-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamideCBMicro_007436Oprea1_413131Oprea1_790974DTXSID901152192N-(4-ethylphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamideSMSF0006764AKOS000597411CB10215
Show more names
BIM-0007639.P001EU-0003008ST50102300AG-690/11669179SR-01000414325SR-01000414325-1F1018-0047N-(4-ethylphenyl)(2-oxo-8-prop-2-enylchromen-3-yl)carboxamide
Database identifiers
- CAS
313268-05-2- PubChem CID
- 740326
- DTXSID
DTXSID901152192
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
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Compound notes
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