2-(2-Bromo-6-ethoxy-4-{[(3-morpholinopropyl)amino]methyl}phenoxy)acetamide

HCID 2989986

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Basic information

CAS: 893613-42-8
Standard SMILES: CCOc1cc(CNCCCN2CCOCC2)cc(Br)c1OCC(N)=O
InChIKey: RFDHLPBETOSUSI-UHFFFAOYSA-N
Molecular formula: C18H28BrN3O4
Average molar mass: 430.3 g/mol
Monoisotopic mass: 429.12632

Names & identifiers

Preferred name: 2-(2-Bromo-6-ethoxy-4-{[(3-morpholinopropyl)amino]methyl}phenoxy)acetamide
IUPAC: 2-[2-bromo-6-ethoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide

Names & synonyms

893613-42-82-[2-Bromo-6-ethoxy-4-[[[3-(4-morpholinyl)propyl]amino]methyl]phenoxy]acetamideDTXSID801136632AKOS0408257932-(2-BROMO-6-ETHOXY-4-{[(3-MORPHOLINOPROPYL)AMINO]METHYL}PHENOXY)ACETAMIDE2-[2-BROMO-6-ETHOXY-4-({[3-(MORPHOLIN-4-YL)PROPYL]AMINO}METHYL)PHENOXY]ACETAMIDE2-[2-bromo-6-ethoxy-4-({[3-(morpholin-4-yl)propyl]amino}methyl)phenoxy]acetamide--hydrogen chloride (1/1)

Database identifiers

CAS: 893613-42-8
PubChem CID: 2989986
DTXSID: DTXSID801136632

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 86.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 26
Formal charge: 0
Complexity: 410

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