4-{1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]-propyl}-N-methoxy-2,N-dimethyl-benzamide

HCID 57763441

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(C(=O)N(C)OC)c(C)c1
InChIKey: UTWUGBFMYVNSHL-UHFFFAOYSA-N
Molecular formula: C28H41NO4
Average molar mass: 455.6 g/mol

Names & identifiers

Preferred name: 4-{1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]-propyl}-N-methoxy-2,N-dimethyl-benzamide
IUPAC: 4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-methoxy-N,2-dimethylbenzamide

Names & synonyms

SCHEMBL2978950UTWUGBFMYVNSHL-UHFFFAOYSA-N4-{1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]-propyl}-N-methoxy-2,N-dimethyl-benzamide

Database identifiers

PubChem CID: 57763441

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 59 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 33
Formal charge: 0
Complexity: 612

Related reactions

8 records

New reaction record

HRID 230827As productuspto-grants-2009_07

HRID 230828As reactantuspto-grants-2009_07

HRID 290759As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 502071As productuspto-grants-2010_08

HRID 502072As reactantuspto-grants-2010_08

HRID 502075As productuspto-grants-2010_08

HRID 502076As reactantuspto-grants-2010_08

HRID 2136362As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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