2-(2-Methoxy-4-{[(4-pyridinylmethyl)amino]methyl}phenoxy)acetamide

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Basic information

CAS: 774554-67-5
Standard SMILES: COc1cc(CNCc2ccncc2)ccc1OCC(N)=O
InChIKey: URKPYWQTKRLKDO-UHFFFAOYSA-N
Molecular formula: C16H19N3O3
Average molar mass: 301.34 g/mol
Monoisotopic mass: 301.14264148

Names & identifiers

Preferred name: 2-(2-Methoxy-4-{[(4-pyridinylmethyl)amino]methyl}phenoxy)acetamide
IUPAC: 2-[2-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenoxy]acetamide

Names & synonyms

774554-67-52-(2-methoxy-4-{[(4-pyridinylmethyl)amino]methyl}phenoxy)acetamide2-[2-Methoxy-4-[[(4-pyridinylmethyl)amino]methyl]phenoxy]acetamideAN-465/42767293MLS001179229CHEMBL2138074DTXSID801166697AKOS001711708SMR0004772112-[2-Methoxy-4-({[(pyridin-4-yl)methyl]amino}methyl)phenoxy]acetamide

Database identifiers

CAS: 774554-67-5
PubChem CID: 834403
DTXSID: DTXSID801166697
ChEMBL: CHEMBL2138074

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 86.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 335

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Compound notes

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