Ethyl 4-[3-[[2-(1-cyclohexen-1-yl)ethyl]amino]-2,5-dioxo-1-pyrrolidinyl]benzoate
Basic information
- CAS
1009684-48-3- Standard SMILES
CCOC(=O)c1ccc(N2C(=O)CC(NCCC3=CCCCC3)C2=O)cc1- InChIKey
YURHBPBDKGUJNF-UHFFFAOYSA-N- Molecular formula
- C21H26N2O4
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.18925731
Names & identifiers
- Preferred name
- Ethyl 4-[3-[[2-(1-cyclohexen-1-yl)ethyl]amino]-2,5-dioxo-1-pyrrolidinyl]benzoate
- IUPAC
- ethyl 4-[3-[2-(cyclohexen-1-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
Names & synonyms
DTXSID401134646AKOS000520899Ethyl 4-[3-[[2-(1-cyclohexen-1-yl)ethyl]amino]-2,5-dioxo-1-pyrrolidinyl]benzoate1009684-48-3SR-01000370129SR-01000370129-1ETHYL 4-(3-{[2-(CYCLOHEX-1-EN-1-YL)ETHYL]AMINO}-2,5-DIOXOPYRROLIDIN-1-YL)BENZOATE
Database identifiers
- CAS
1009684-48-3- PubChem CID
- 3145017
- DTXSID
DTXSID401134646
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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