ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate

C25H28N2O5 — CID 90771332

IUPACethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(C(C)C)N(C(=O)COc2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C25H28N2O5/c1-4-31-23(29)16-26-21(19-11-7-5-8-12-19)15-27(24(18(2)3)25(26)30)22(28)17-32-20-13-9-6-10-14-20/h5-15,18,24H,4,16-17H2,1-3H3
InChIKeyZFCRJRIBZXMJEL-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.32
Rot. Bonds8

About ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate

ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate (PubChem CID 90771332) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
PubChem CID90771332
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Nameethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(C(C)C)N(C(=O)COc2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C25H28N2O5/c1-4-31-23(29)16-26-21(19-11-7-5-8-12-19)15-27(24(18(2)3)25(26)30)22(28)17-32-20-13-9-6-10-14-20/h5-15,18,24H,4,16-17H2,1-3H3
InChIKeyZFCRJRIBZXMJEL-UHFFFAOYSA-N
XLogP3.32
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate
CID 95242706
[(3R,4R)-4-benzoyloxy-1-(2-ethoxy-2-oxoethyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 1020607
2-(1-benzoyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-(4,4,5,5,6,6,6-heptafluoro-3-oxo-1-phenylhexan-2-yl)acetamide
CID 22736137
ethyl 2-(3-oxo-5-phenyl-1,4-thiazin-4-yl)acetate
CID 56766415
2-[1-(benzenesulfonyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
CID 22284328
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
propan-2-yl 2-phenoxyacetate
CID 11367560
ethyl 2-[4-[(2-phenoxyacetyl)amino]triazol-2-yl]acetate
CID 112535524
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate?
The IUPAC name of ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate (CID 90771332) is ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate?
The canonical SMILES for ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate is CCOC(=O)CN1C(=O)C(C(C)C)N(C(=O)COc2ccccc2)C=C1c1ccccc1.
What is the InChIKey of ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate?
The InChIKey is ZFCRJRIBZXMJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-4-31-23(29)16-26-21(19-11-7-5-8-12-19)15-27(24(18(2)3)25(26)30)22(28)17-32-20-13-9-6-10-14-20/h5-15,18,24H,4,16-17H2,1-3H3.
What are the key properties of ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate?
ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate has a molecular weight of 436.51 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate is sourced from PubChem (CID 90771332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).