Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=O)OCC1CC=CCC1C(=O)NCCN1CCCCC1- InChIKey
AYTBIIWMTHKAFV-UHFFFAOYSA-N- Molecular formula
- C34H63N3O3
- Average molar mass
- 561.9 g/mol
- Monoisotopic mass
- 561.48694288
Names & identifiers
- Preferred name
- [6-[[(2-Piperidinoethyl)amino]carbonyl]-3-cyclohexenyl]methyl N-octadecylcarbamate
- IUPAC
- [6-(2-piperidin-1-ylethylcarbamoyl)cyclohex-3-en-1-yl]methyl N-octadecylcarbamate
Names & synonyms
SCHEMBL7454215AYTBIIWMTHKAFV-UHFFFAOYSA-N[6-[[(2-Piperidinoethyl)amino]carbonyl]-3-cyclohexenyl]methyl N-octadecylcarbamate
Database identifiers
- PubChem CID
- 21266136
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 24
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 663
Related reactions
3 records
Compound notes
Loading…