CAS 181647-10-9

4-[Ethyl[(4-methoxyphenyl)methyl]amino]-2-butyn-1-yl α-cyclohexyl-α-hydroxybenzeneacetate

Description:

4-[Ethyl[(4-methoxyphenyl)methyl]amino]-2-butyn-1-yl α-cyclohexyl-α-hydroxybenzeneacetate, with the CAS number 181647-10-9, is a complex organic compound characterized by its unique structural features. It contains multiple functional groups, including an amine, an alkyne, and an ester, which contribute to its chemical reactivity and potential biological activity. The presence of the ethyl and methoxyphenyl substituents suggests that it may exhibit lipophilic properties, potentially influencing its solubility and permeability in biological systems. The cyclohexyl and hydroxybenzene moieties may enhance its interaction with specific biological targets, making it of interest in medicinal chemistry. Additionally, the compound's structural complexity may lead to diverse pharmacological effects, although specific biological activities would require empirical investigation. Overall, this compound exemplifies the intricate design often found in pharmaceutical agents, where modifications to the molecular structure can significantly impact its efficacy and safety profile.

Formula: C₂₈H₃₅NO₄

InChI: InChI=1S/C28H35NO4/c1-3-29(22-23-16-18-26(32-2)19-17-23)20-10-11-21-33-27(30)28(31,24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4,6-7,12-13,16-19,25,31H,3,5,8-9,14-15,20-22H2,1-2H3

InChI key: InChIKey=ACFBHRDVWZCUKG-UHFFFAOYSA-N

SMILES: C(C(OCC#CCN(CC1=CC=C(OC)C=C1)CC)=O)(O)(C2CCCCC2)C3=CC=CC=C3

Synonyms:

• Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-[ethyl[(4-methoxyphenyl)methyl]amino]-2-butynyl ester
• Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-[ethyl[(4-methoxyphenyl)methyl]amino]-2-butyn-1-yl ester
• 4-[Ethyl[(4-methoxyphenyl)methyl]amino]-2-butyn-1-yl α-cyclohexyl-α-hydroxybenzeneacetate
• 4-[N-ETHYL-(4-METHOXYPHENYL)METHYLAMINO]-2-BUTYNYL-2-CYCLOHEXYL-2-HYDROXYBENZENE ACETATE
• α-Cyclohexyl-α-hydroxy-benzeneacetic Acid 4-[Ethyl[(4-Methoxyphenyl)Methyl]aMino]-2-butyn-1-yl Ester