N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID: 133420
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| Compound Synonyms | N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide, SCHEMBL9869389, CHEBI:182610, DTXSID301315035 |
|---|---|
| Topological Polar Surface Area | 75.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C13H18N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CJHDBEPXEKGBDW-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -1.248 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.878 |
| Compound Name | N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.137 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 234.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.046130270588235 |
| Inchi | InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17) |
| Smiles | C1=CC(=CC=C1C=CC(=O)NCCCCN)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Nagarum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tanacetum Cinerariifolium (Plant) Rel Props:Source_db:cmaup_ingredients