4-hydroxy-3-methoxy-N-octylbenzamide
PubChem CID: 42759
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| Compound Synonyms | 4-hydroxy-3-methoxy-N-octylbenzamide, Vanillyl octanamide, CHEMBL80813, DTXSID90207203, CHEBI:190133, BDBM50231172, G54245, Q27275857 |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | CMUQEPIYTHQKDV-UHFFFAOYSA-N |
| Rotatable Bond Count | 9.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | 4-hydroxy-3-methoxy-N-octylbenzamide |
| Description | Vanillyl octanamide is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Vanillyl octanamide is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Vanillyl octanamide can be found in a number of food items such as green bell pepper, pepper (c. annuum), red bell pepper, and orange bell pepper, which makes vanillyl octanamide a potential biomarker for the consumption of these food products. |
| Exact Mass | 279.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.183 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 279.37 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3-methoxy-N-octylbenzamide |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-11-17-16(19)13-9-10-14(18)15(12-13)20-2/h9-10,12,18H,3-8,11H2,1-2H3,(H,17,19) |
| Smiles | CCCCCCCCNC(=O)C1=CC(=C(C=C1)O)OC |
| Xlogp | 4.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H25NO3 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all