(S)-2-[4-(2-ethoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid (1-methyl-1H-pyrazol-3-yl)-amide

HCID 44252016
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Basic information

Standard SMILES
CCOc1ccccc1OC1=CC(=O)N([C@@H](CC(C)C)C(=O)Nc2ccn(C)n2)C1
InChIKey
NFTVSIUQNQCAOL-KRWDZBQOSA-N
Molecular formula
C22H28N4O4
Average molar mass
412.5 g/mol

Names & identifiers

Preferred name
(S)-2-[4-(2-ethoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid (1-methyl-1H-pyrazol-3-yl)-amide
IUPAC
(2S)-2-[3-(2-ethoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide

Names & synonyms

SCHEMBL1080776NFTVSIUQNQCAOL-KRWDZBQOSA-N(S)-2-[4-(2-ethoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid (1-methyl-1H-pyrazol-3-yl)-amide

Database identifiers

PubChem CID
44252016

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
85.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
30

Related reactions

1 records
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Linked notes

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