Basic information
- CAS
84354-07-4- Standard SMILES
COc1ccc(CCNC(=O)Oc2ccccc2)cc1OC- InChIKey
REERUHWZMHJWGG-UHFFFAOYSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Names & identifiers
- Preferred name
- phenyl N-(3,4-dimethoxyphenethyl)carbamate
- IUPAC
- phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
Names & synonyms
84354-07-4phenyl N-(3,4-dimethoxyphenethyl)carbamateDTXSID10358327RefChem:369706DTXCID00309383phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamatePhenyl (3,4-dimethoxyphenethyl)carbamatephenyl [2-(3,4-dimethoxyphenyl)ethyl]carbamateHMS2877O14MLS001195460SCHEMBL3279938CHEMBL1876354
Show more names
Phenyl3,4-dimethoxyphenethylcarbamateSTK125964AKOS003236876Phenyl 3,4-dimethoxyphenethylcarbamateMS-1112SMR000550686CS-0362872SR-01000258933
Database identifiers
- CAS
84354-07-4- PubChem CID
- 887553
- DTXSID
DTXSID10358327- ChEMBL
CHEMBL1876354- Nikkaji
- J2.024.369D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
Solubility42.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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