1-[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide

HCID 19349902

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(C)C)C(O)C(F)(F)F)C(C)C)cc1
InChIKey: MUOJCULIFHYGLN-UHFFFAOYSA-N
Molecular formula: C24H34F3N3O5
Average molar mass: 501.5 g/mol
Monoisotopic mass: 501.24505568

Names & identifiers

Preferred name: 1-[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
IUPAC: 1-[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide

Names & synonyms

SCHEMBL8087573MUOJCULIFHYGLN-UHFFFAOYSA-N1-[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide

Database identifiers

PubChem CID: 19349902

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 108 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 738

Related reactions

2 records

New reaction record

HRID 152505As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1119575As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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