Carbamic acid, (methoxyacetyl)methyl-, o-isopropoxyphenyl ester
PubChem CID: 28848
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| Compound Synonyms | Upjohn U-18120, 17959-11-4, ENT 27,350, NSC 190948, BRN 1890489, AI3-27350, DTXSID20170835, CARBAMIC ACID, (METHOXYACETYL)METHYL-, o-ISOPROPOXYPHENYL ESTER, U-18120, 2-(1-Methylethoxy)phenyl (methoxyacetyl)methylcarbamate, Carbamic acid, (methoxyacetyl)methyl-, 2-(1-methylethoxy)phenyl ester, DTXCID2093326 |
|---|---|
| Topological Polar Surface Area | 73.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-propan-2-yloxyphenyl) N-(3-methoxy-2-oxopropyl)carbamate |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C14H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ANLFXSZRALURDN-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -2.021 |
| Rotatable Bond Count | 8.0 |
| Logd | 0.569 |
| Compound Name | Carbamic acid, (methoxyacetyl)methyl-, o-isopropoxyphenyl ester |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 281.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.126 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 281.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8153095999999995 |
| Inchi | InChI=1S/C14H19NO5/c1-10(2)19-12-6-4-5-7-13(12)20-14(17)15-8-11(16)9-18-3/h4-7,10H,8-9H2,1-3H3,(H,15,17) |
| Smiles | CC(C)OC1=CC=CC=C1OC(=O)NCC(=O)COC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients