1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one

C20H21N3O2 — CID 16824616

IUPAC1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(NCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-2-25-18-10-8-17(9-11-18)23-15-14-22-19(20(23)24)21-13-12-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,21,22)
InChIKeyZJUOYMHFLSBBCY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.29
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one

1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one (PubChem CID 16824616) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one
PubChem CID16824616
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(NCCc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-2-25-18-10-8-17(9-11-18)23-15-14-22-19(20(23)24)21-13-12-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,21,22)
InChIKeyZJUOYMHFLSBBCY-UHFFFAOYSA-N
XLogP3.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one (CID 16824616) is 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one is CCOc1ccc(-n2ccnc(NCCc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one?
The InChIKey is ZJUOYMHFLSBBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-25-18-10-8-17(9-11-18)23-15-14-22-19(20(23)24)21-13-12-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H,21,22).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one?
1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one is sourced from PubChem (CID 16824616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).