N-Isobutylidenedipivalamide
PubChem CID: 132235
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| Compound Synonyms | IBDPA, N-Isobutylidenedipivalamide, 139416-20-9, Tbuco-val psi(NH-CO)NH(t)Bu, Propanamide, N,N'-(2-methylpropylidene)bis(2,2-dimethyl-, DTXSID70930466, N-[1-(2,2-dimethylpropanoylamino)-2-methylpropyl]-2,2-dimethylpropanamide, Propanamide, N,N'-(2-methylpropylidene)bis(2,2-dimethyl)-, N,N'-(2-Methylpropane-1,1-diyl)bis(2,2-dimethylpropanimidic acid) |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[1-(2,2-dimethylpropanoylamino)-2-methylpropyl]-2,2-dimethylpropanamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C14H28N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WVJLEJNAJZPAHH-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -2.47 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.511 |
| Compound Name | N-Isobutylidenedipivalamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 256.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.215 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6259179999999995 |
| Inchi | InChI=1S/C14H28N2O2/c1-9(2)10(15-11(17)13(3,4)5)16-12(18)14(6,7)8/h9-10H,1-8H3,(H,15,17)(H,16,18) |
| Smiles | CC(C)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients