Basic information
- CAS
17787-98-3- Standard SMILES
CC(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1- InChIKey
GKYKHTPBXMEFKN-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- m-Isobutyramidophenyl tert-butylcarbamate
- IUPAC
- [3-(2-methylpropanoylamino)phenyl] N-tert-butylcarbamate
- English name
- tert-Butylcarbamic acid 3-[(2-methylpropionyl)amino]phenyl ester
- Molecular weight
- 0
Names & synonyms
m-Isobutyramidophenyl tert-butylcarbamate17787-98-3S9A6H6XPA0NSC 222512BRN 2141408UNII-S9A6H6XPA0NSC-222512Propionanilide, 3'-hydroxy-2-methyl-, tert-butylcarbamate (ester)3'-(1,1-Dimethylethylcarbamoyloxy)-2-methylpropionanilidePropionanilide, 3'-hydroxy-2-methyl-, tert-butylcarbamateDTXSID10170389Carbamic acid, (1,1-dimethylethyl)-, 3-((2-methyl-1-oxopropyl)amino)phenyl ester
Show more names
tert-Butylcarbamic acid 3-[(2-methylpropionyl)amino]phenyl ester
CARBAMIC ACID, TERT-BUTYL-, ESTER WITH 3'-HYDROXY-2-METHYLPROPIONANILIDERefChem:154875DTXCID9092880Carbamic acid, (1,1-dimethylethyl)-, 3-((2-methyl-1-oxopropyl)amino)phenyl ester (9CI)[3-(2-methylpropanoylamino)phenyl] N-tert-butylcarbamate3-Isobutyramidophenyl tert-butylcarbamatestarbld0014532orb1985613
Database identifiers
- CAS
17787-98-3- PubChem CID
- 99422
- DTXSID
DTXSID10170389- UNII
- S9A6H6XPA0
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- FDA UNII
- 9 A6H6XPA0 · S9A6H6XPA0
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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