{2-[3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-4-phenylethynyl-phenyl}-carbamic acid tert-butyl ester

HCID 86589331

Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1NC(=O)CC(=O)c1cccc(-c2ccccn2)c1
InChIKey
YCONOJOKKYQKBM-UHFFFAOYSA-N
Molecular formula
C33H29N3O4
Average molar mass
531.6 g/mol
Monoisotopic mass
531.21580641

Names & identifiers

Preferred name
{2-[3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-4-phenylethynyl-phenyl}-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[2-[[3-oxo-3-(3-pyridin-2-ylphenyl)propanoyl]amino]-4-(2-phenylethynyl)phenyl]carbamate

Names & synonyms

{2-[3-oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-4-phenylethynyl-phenyl}-carbamic acid tert-butyl ester{2-[3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino}-4-phenylethynyl-phenyl]-carbamic acid tert-butyl esterSCHEMBL5558039YCONOJOKKYQKBM-UHFFFAOYSA-N

Database identifiers

PubChem CID
86589331

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
97.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
40

Related reactions

4 records

Compound notes

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