Basic information
- CAS
501104-79-6- Standard SMILES
COc1cc(C(C)=O)ccc1OC(=O)N(C)c1ccccc1- InChIKey
ZDXPICFVXZZHAI-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- 4-Acetyl-2-methoxyphenyl methyl(phenyl)carbamate
- IUPAC
- (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate
- English name
- 4-acetyl-2-methoxyphenyl methyl(phenyl)carbamate
- Molecular formula
- C17H17NO4
- Molecular weight
- 299.32
Names & synonyms
4-acetyl-2-methoxyphenyl methyl(phenyl)carbamate501104-79-6(4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamateF1318-01994-ACETYL-2-METHOXYPHENYL N-METHYL-N-PHENYLCARBAMATEMLS001184044CHEMBL1539174DTXSID601325423HMS2826A04SMSSF-0265987STK140481AKOS002245320
Show more names
Carbamic acid, methylphenyl-, 4-acetyl-2-methoxyphenyl ester (9CI)
SMR000502882ST50753982(4-acetyl-2-methoxyphenoxy)-N-methyl-N-benzamideAP-124/41669640SR-01000262627SR-01000262627-11-methyl 1-phenyl 4-acetyl-2-methoxybenzenecarbamate
Database identifiers
- CAS
501104-79-6- PubChem CID
- 890771
- DTXSID
DTXSID601325423- ChEMBL
CHEMBL1539174
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Solubility44.2 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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