N-Ethylpropionamide
PubChem CID: 521324
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| Compound Synonyms | N-Ethylpropionamide, 5129-72-6, N-Ethylpropanamide, Propanamide, N-ethyl-, Propionamide, N-ethyl-, DTXSID40334619, N-Propionylethylamine, MFCD00059388, N-Ethylpropanamide #, N,N'-diethylformamide, N-ethylpropionic acid amide, SCHEMBL95875, SCHEMBL13662026, DTXCID50285709, FAA12972, AKOS008931372, BS-23762, DB-255744, CS-0205055, E0328, D90484 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Description | N-ethylpropionamide is a member of the class of compounds known as secondary carboxylic acid amides. Secondary carboxylic acid amides are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl). N-ethylpropionamide is soluble (in water) and a very weakly acidic compound (based on its pKa). N-ethylpropionamide can be found in tea, which makes N-ethylpropionamide a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-ethylpropanamide |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | 0.4 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Carboxylic acid derivatives |
| Molecular Formula | C5H11NO |
| Inchi Key | ABMDIECEEGFXNC-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | N-ethylpropanamide, N-ethylpropionamide, Propionamide, n-ethyl- |
| Compound Name | N-Ethylpropionamide |
| Kingdom | Organic compounds |
| Exact Mass | 101.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 101.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 101.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C5H11NO/c1-3-5(7)6-4-2/h3-4H2,1-2H3,(H,6,7) |
| Smiles | CCC(=O)NCC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Secondary carboxylic acid amides |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all