Salicylic acid, 4-(2-(cyclohexylamino)acetamido)-, methyl ester, monohydrochloride

HCID 203263

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Basic information

CAS: 14102-32-0
Standard SMILES: COC(=O)c1ccc(NC(=O)CNC2CCCCC2)cc1O.Cl
InChIKey: PPQXLKYPOHGSKI-UHFFFAOYSA-N
Molecular formula: C16H23ClN2O4
Average molar mass: 342.82 g/mol
Monoisotopic mass: 342.1346349

Names & identifiers

Preferred name: Salicylic acid, 4-(2-(cyclohexylamino)acetamido)-, methyl ester, monohydrochloride
IUPAC: methyl 4-[[2-(cyclohexylamino)acetyl]amino]-2-hydroxybenzoate;hydrochloride

Names & synonyms

Salicylic acid, 4-(2-(cyclohexylamino)acetamido)-, methyl ester, monohydrochloride14102-32-04-(2-(Cyclohexylamino)acetamido)salicylic acid methyl ester hydrochlorideDTXSID50161519RefChem:379793DTXCID0084010Methyl 4-[(N-cyclohexylglycyl)amino]-2-hydroxybenzoate--hydrogen chloride (1/1)

Database identifiers

CAS: 14102-32-0
PubChem CID: 203263
DTXSID: DTXSID50161519

Properties

Computed structural properties

Topological polar surface area: 87.7 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 382

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