Basic information
- CAS
7483-01-4- Standard SMILES
C=CCC(CC=C)(C(N)=O)c1ccc(C(=O)OCCN(CC)CC)cc1- InChIKey
LSQBSDZQJYCGNK-UHFFFAOYSA-N- Molecular formula
- C21H30N2O3
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.22564282
Names & identifiers
- Preferred name
- Benzoic acid, p-(1-allyl-1-carbamoyl-3-butenyl)-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate
Names & synonyms
BENZOIC ACID, p-(1-ALLYL-1-CARBAMOYL-3-BUTENYL)-, 2-(DIETHYLAMINO)ETHYL ESTERDTXSID50225802p-(1-Allyl-1-carbamoyl-3-butenyl)benzoic acid 2-(diethylamino)ethyl ester7483-01-4RefChem:327800DTXCID401482932-(Diethylamino)ethyl 4-(4-carbamoylhepta-1,6-dien-4-yl)benzoate
Database identifiers
- CAS
7483-01-4- PubChem CID
- 24070
- DTXSID
DTXSID50225802
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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