N-(4-O-glycerol-3-methoxybenzyl)nonivamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
147465-43-8- Standard SMILES
CCCCCCCCC(=O)NCc1ccc(CC(O)CO)c(OC)c1- InChIKey
ZPRQZUALRQVYOJ-UHFFFAOYSA-N- Molecular formula
- C20H33NO4
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.24095853
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(4-O-glycerol-3-methoxybenzyl)nonivamide
- IUPAC
- N-[[4-(2,3-dihydroxypropyl)-3-methoxyphenyl]methyl]nonanamide
- English name
- N-(4-O-glycerol-3-methoxybenzyl)nonivamide
- Molecular formula
- C20H33NO4
- Molecular weight
- 351.48
Names & synonyms
147465-43-8N-(4-O-Glycerol-3-methoxybenzyl)nonivamideNonanoyl vanillylamide-4-O-glycerolRefChem:162201Glyceryl nonivamideCHEMBL1671885DTXSID60933128BDBM50417958Nonanamide, N-((4-(2,3-dihydroxypropyl)-3-methoxyphenyl)methyl)-N-{[4-(2,3-Dihydroxypropyl)-3-methoxyphenyl]methyl}nonanimidic acidNonanamide, N-[[4-(2,3-dihydroxypropyl)-3-methoxyphenyl]methyl]-
Database identifiers
- CAS
147465-43-8- PubChem CID
- 3035784
- DTXSID
DTXSID60933128- ChEMBL
CHEMBL1671885
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 581.8 · 581.8±50.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 14.12 · 14.12±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…