Fumaramidmycin
PubChem CID: 5970690
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| Compound Synonyms | Fumaramidmycin, 57687-92-0, Antibiotic C 9154, (E)-N'-(2-phenylacetyl)but-2-enediamide, C-9154, Ro 09-0049, trans-N-(Phenylacetyl)-2-butenediamide, BRN 2506249, N-(Phenylacetyl)-2-butenediamide, (E)-, (E)-N-(Phenylacetyl)-2-butenediamide, 2-BUTENEDIAMIDE, N-(PHENYLACETYL)-, (E)-, NSC 267024, N-(phenylacetyl)fumaramide, N-(phenylacetyl)-fumaramide, N1-(2-phenylacetyl)fumaramide, SCHEMBL9665038, CHEBI:222534, N-(2-phenylacetyl)but-2-enediamide, NSC267024, AKOS040746847, NSC-267024, DB-310212, HY-114938, (2E)-N'-(2-phenylacetyl)but-2-enediimidate, C 9154 |
|---|---|
| Topological Polar Surface Area | 89.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N'-(2-phenylacetyl)but-2-enediamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C12H12N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RPPKWABVORYKHA-VOTSOKGWSA-N |
| Fcsp3 | 0.0833333333333333 |
| Logs | -2.708 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.069 |
| Compound Name | Fumaramidmycin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.085 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 232.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.376558270588235 |
| Inchi | InChI=1S/C12H12N2O3/c13-10(15)6-7-11(16)14-12(17)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,15)(H,14,16,17)/b7-6+ |
| Smiles | C1=CC=C(C=C1)CC(=O)NC(=O)/C=C/C(=O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubus Alceifolius (Plant) Rel Props:Source_db:cmaup_ingredients