Basic information
- Standard SMILES
C=C(C)NC(C(=O)OCC(C)C)C1(C)CC(NC(C)=CC(=O)OCC(C)C)CC(C)(C)C1- InChIKey
UJNHOKPJEBZKJF-UHFFFAOYSA-N- Molecular formula
- C26H46N2O4
- Average molar mass
- 450.7 g/mol
Names & identifiers
- Preferred name
- 1-(1-Isobutoxycarbonyl-2-prop-1-enylamino)-3-(1-isobutoxycarbonyl-2-prop-1-enylaminomethyl)-3,5,5-trimethylcyclohexane
- IUPAC
- 2-methylpropyl 3-[[3,3,5-trimethyl-5-[2-(2-methylpropoxy)-2-oxo-1-(prop-1-en-2-ylamino)ethyl]cyclohexyl]amino]but-2-enoate
Names & synonyms
SCHEMBL6666709UJNHOKPJEBZKJF-UHFFFAOYSA-N1-(1-isobutoxycarbonyl-2-prop-1-enylamino)-3-(1-isobutoxycarbonyl-2-prop-1-enylaminomethyl)-3,5,5-trimethylcyclohexane
Database identifiers
- PubChem CID
- 69858192
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 696
Related reactions
1 records
Compound notes
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