CARBAMIC ACID, METHYL-, 3-(DIMETHYLAMINO)-p-TOLYL ESTER
PubChem CID: 26479
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| Compound Synonyms | 14144-91-3, [3-(dimethylamino)-4-methylphenyl] N-methylcarbamate, N-Methylcarbamic acid 3-(dimethylamino)-4-methylphenyl ester, Bayer 42696, BAY 42696, TL-1187, BRN 2731714, AI3-27108, CARBAMIC ACID, METHYL-, 3-(DIMETHYLAMINO)-p-TOLYL ESTER, Carbamic acid, N-methyl-, 4-methyl-3-dimethylaminophenyl ester, 3-13-00-01573 (Beilstein Handbook Reference), DTXSID80931101, Phenol, 3-(dimethylamino)-4-methyl-, methylcarbamate (ester), 3-(Dimethylamino)-4-methylphenyl hydrogen methylcarbonimidate |
|---|---|
| Topological Polar Surface Area | 41.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-(dimethylamino)-4-methylphenyl] N-methylcarbamate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C11H16N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SOANVOIJXGSERP-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.505 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.417 |
| Compound Name | CARBAMIC ACID, METHYL-, 3-(DIMETHYLAMINO)-p-TOLYL ESTER |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 208.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7538181999999995 |
| Inchi | InChI=1S/C11H16N2O2/c1-8-5-6-9(15-11(14)12-2)7-10(8)13(3)4/h5-7H,1-4H3,(H,12,14) |
| Smiles | CC1=C(C=C(C=C1)OC(=O)NC)N(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Apocynum Venetum (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Magnolia Obovata (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Senegalia Catechu (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients