Basic information
- CAS
40591-31-9- Standard SMILES
C=CCC(CC=C)(C(=O)NC(=O)NC1CCCCC1)C(=O)OCC- InChIKey
JYRPGGWITVAMOQ-UHFFFAOYSA-N- Molecular formula
- C18H28N2O4
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.20490738
Names & identifiers
- Preferred name
- Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester
- IUPAC
- ethyl 2-(cyclohexylcarbamoylcarbamoyl)-2-prop-2-enylpent-4-enoate
Names & synonyms
BRN 0691797Ethyl ester of cyclohexylureide-diallylmalonic acid4-Pentenoic acid, 2-((((cyclohexylamino)carbonyl)amino)carbonyl)-2-(2-propenyl)-, ethyl ester40591-31-9N-(Cyclohexylcarbamoyl)-2,2-diallylmalonamic acid ethyl esterMALONAMIC ACID, N-(CYCLOHEXYLCARBAMOYL)-2,2-DIALLYL-, ETHYL ESTERRefChem:351824DTXSID40961000N-[(Cyclohexylimino)(hydroxy)methyl]-2-(ethoxycarbonyl)-2-(prop-2-en-1-yl)pent-4-enimidic acid
Database identifiers
- CAS
40591-31-9- PubChem CID
- 38530
- DTXSID
DTXSID40961000
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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