N-(2-Phenylethyl)carbamic acid; Et ester
AlkaPlorer ID: AK124508
Synonym: Ethyl N-(2-phenylethyl)carbamate
IUPAC Name: ethyl N-(2-phenylethyl)carbamate
Structure
SMILES: CCOC(=O)NCCC1=CC=CC=C1
InChI: InChI=1S/C11H15NO2/c1-2-14-11(13)12-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
InChIKey: WXDDBYFBIIAYSM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cytophaga sp. | Cytophaga | Cytophagaceae | Cytophagales | Cytophagia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 193.24600000000004
TPSA？: 38.33
MolLogP？: 1.9752
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | GI50 | 50000.0 | nM | 10.1016/j.bmc.2016.08.040 |
| Homo sapiens | Histone deacetylase 2 | IC50 | 1000.0 | nM | 10.1016/j.bmc.2016.08.040 |
| Homo sapiens | HuT78 | GI50 | 50000.0 | nM | 10.1016/j.bmc.2016.08.040 |
| Homo sapiens | MCF7 | GI50 | 50000.0 | nM | 10.1016/j.bmc.2016.08.040 |
| Homo sapiens | MDA-MB-231 | GI50 | 50000.0 | nM | 10.1016/j.bmc.2016.08.040 |
| Homo sapiens | MOLT-4 | GI50 | 50000.0 | nM | 10.1016/j.bmc.2016.08.040 |
| Homo sapiens | PBMC | GI50 | 50000.0 | nM | 10.1016/j.bmc.2016.08.040 |
| None | Unchecked | Activity | 90.0 | % | 10.1016/j.bmc.2016.08.040 |