N-(3-(2-Hydroxy-3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)acetamide

HCID 47405

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Basic information

CAS: 64511-48-4
Standard SMILES: COc1cccc(N2CCN(CC(O)COc3cccc(NC(C)=O)c3)CC2)c1
InChIKey: PDWXDRBYGFVQRC-UHFFFAOYSA-N
Molecular formula: C22H29N3O4
Average molar mass: 399.5 g/mol
Monoisotopic mass: 399.21580641

Names & identifiers

Preferred name: N-(3-(2-Hydroxy-3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)acetamide
IUPAC: N-[3-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide

Names & synonyms

N-(3-(2-Hydroxy-3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)acetamide64511-48-4BRN 0585239ACETAMIDE, N-(3-(2-HYDROXY-3-(4-(3-METHOXYPHENYL)-1-PIPERAZINYL)PROPOXY)PHENYL)-DTXSID10983097N-(3-{2-Hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy}phenyl)ethanimidic acid

Database identifiers

CAS: 64511-48-4
PubChem CID: 47405
DTXSID: DTXSID10983097

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 74.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 498

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