1,3-Diamino-2-methylbenzene; 1,3-N-Bis(methoxycarbonyl)
AlkaPlorer ID: AK254833
Synonym: Obtucarbamate B
IUPAC Name: methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate
Structure
SMILES: COC(=O)NC1=CC=CC(NC(=O)OC)=C1C
InChI: InChI=1S/C11H14N2O4/c1-7-8(12-10(14)16-2)5-4-6-9(7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15)
InChIKey: JNNLWOJZIPJIQG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | None | Squamata | Lepidosauria | Chordata | Metazoa | Eukaryota |
| Chamaecyparis obtusa | Chamaecyparis | Cupressaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 238.243
TPSA？: 76.66000000000001
MolLogP？: 2.35162
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2016.11.069 |