3-Furancarboxylic acid,5-(4-acetylphenyl)-2-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-,ethyl ester

CAS

960521-65-7

Catalog Number

ACM960521657

Category

Other Products

MSDS COA Spec Sheet

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What is the molecular formula of the compound?

The molecular formula is C26H33NO5.

What are the synonyms of the compound?

The synonyms are 960521-65-7, 3-furancarboxylic acid, 5-(4-acetylphenyl)-2-[[(trans-4-methylcyclohexyl)carbonyl](1-methylethyl)amino]-,ethyl ester, SCHEMBL5592350, SCHEMBL5592354.

What is the molecular weight of the compound?

The molecular weight is 439.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is ethyl 5-(4-acetylphenyl)-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]furan-3-carboxylate.

What is the InChI of the compound?

The InChI is InChI=1S/C26H33NO5/c1-6-31-26(30)22-15-23(20-13-11-19(12-14-20)18(5)28)32-25(22)27(16(2)3)24(29)21-9-7-17(4)8-10-21/h11-17,21H,6-10H2,1-5H3.

What is the InChIKey of the compound?

The InChIKey is BABQFONDEWDCIZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CCOC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)C(=O)C)N(C(C)C)C(=O)C3CCC(CC3)C.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 5.4.

How many hydrogen bond donor count does the compound have?

The compound has 0 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 76.8 Å2.

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