Feruloylputrescine
PubChem CID: 5281796
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| Compound Synonyms | Feruloylputrescine, 501-13-3, Subaphylline, N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide, N-Feruloylputrescine, Subaphyllin, 4-Oxy-3-methoxycinnamylputrescine, 91000-11-2, N-trans-Feruloylputrescine, N-(4-Aminobutyl)-4-hydroxy-3-methoxycinnamamide, (E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide, NSC-602818, J3HM10B75D, CINNAMAMIDE, N-(4-AMINOBUTYL)-4-HYDROXY-3-METHOXY-, 2-Propenamide, N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-, (E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide, N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propenamide, 2-Propenamide, N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-, (2E)-, trans-N-Feruloylputrescine, 2-Propenamide, N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-, (E)-, UNII-J3HM10B75D, CHEBI:9299, SCHEMBL26486026, DTXSID90904144, SFUVCMKSYKHYLD-FNORWQNLSA-N, NSC602818, Feruloyl putrescine (isomer of 1178), HY-W327449, HY-W707850, AS-75663, DA-76327, CS-0367848, CS-0816179, Q27108351, (E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enamide, (2E)-N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propenamide #, (2E)-N-(4-AMINOBUTYL)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENAMIDE |
|---|---|
| Topological Polar Surface Area | 84.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C14H20N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SFUVCMKSYKHYLD-FNORWQNLSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -0.969 |
| Rotatable Bond Count | 7.0 |
| Logd | 0.743 |
| Compound Name | Feruloylputrescine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 264.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.147 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.138748810526315 |
| Inchi | InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCN)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Gomphrena Globosa (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hyptis Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all