3-(1,3-benzodioxol-5-yl)-N-cyclohexylacrylamide
PubChem CID: 692702
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| Compound Synonyms | CHEMBL2203918, 3-(1,3-benzodioxol-5-yl)-N-cyclohexylacrylamide, (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-cyclohexylacrylamide, WAY-301282, SCHEMBL3831979, SCHEMBL3831982, (E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexylprop-2-enamide, BDBM50401986, STK260380, AKOS000535785, AB00082905-01, AP-906/40193614, Z31484695, F3095-0321, (2E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexylprop-2-enamide, (E)-3-(1,3-BENZODIOXOL-5-YL)-N-CYCLOHEXYL-2-PROPENAMIDE |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P27338, P21397 |
| Iupac Name | (E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexylprop-2-enamide |
| Prediction Hob | 1.0 |
| Target Id | NPT582 |
| Xlogp | 3.6 |
| Molecular Formula | C16H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HEVXIAMRBRLSEJ-VQHVLOKHSA-N |
| Fcsp3 | 0.4375 |
| Logs | -5.103 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.527 |
| Compound Name | 3-(1,3-benzodioxol-5-yl)-N-cyclohexylacrylamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 273.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 273.136 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 273.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.381058400000001 |
| Inchi | InChI=1S/C16H19NO3/c18-16(17-13-4-2-1-3-5-13)9-7-12-6-8-14-15(10-12)20-11-19-14/h6-10,13H,1-5,11H2,(H,17,18)/b9-7+ |
| Smiles | C1CCC(CC1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all