Acetamide, N-(4-((2-hydroxy-3-((1-methylethyl)amino)cyclohexyl)oxy)phenyl)-, (1-alpha,2-beta,3-alpha)-

HCID 3065720

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Basic information

CAS: 108661-71-8
Standard SMILES: CC(=O)Nc1ccc(O[C@H]2CCC[C@@H](NC(C)C)[C@@H]2O)cc1
InChIKey: ACBBPCYXYMILET-IKGGRYGDSA-N
Molecular formula: C17H26N2O3
Average molar mass: 306.4 g/mol
Monoisotopic mass: 306.1943427

Names & identifiers

Preferred name: Acetamide, N-(4-((2-hydroxy-3-((1-methylethyl)amino)cyclohexyl)oxy)phenyl)-, (1-alpha,2-beta,3-alpha)-
IUPAC: N-[4-[(1S,2S,3R)-2-hydroxy-3-(propan-2-ylamino)cyclohexyl]oxyphenyl]acetamide

Names & synonyms

108661-71-8Acetamide, N-(4-((2-hydroxy-3-((1-methylethyl)amino)cyclohexyl)oxy)phenyl)-, (1-alpha,2-beta,3-alpha)-DTXSID60148674RefChem:315276DTXCID1071165N-[4-({(1S,2S,3R)-2-Hydroxy-3-[(propan-2-yl)amino]cyclohexyl}oxy)phenyl]acetamide

Database identifiers

CAS: 108661-71-8
PubChem CID: 3065720
DTXSID: DTXSID60148674

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 70.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 354

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