2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide

C19H19N3O3 — CID 122162936

IUPAC2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2nccnc2-c2ccoc2)cc1
InChIInChI=1S/C19H19N3O3/c1-2-25-16-5-3-14(4-6-16)11-18(23)22-12-17-19(21-9-8-20-17)15-7-10-24-13-15/h3-10,13H,2,11-12H2,1H3,(H,22,23)
InChIKeyYXWTUFWQIYSGFB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.99
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide

2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide (PubChem CID 122162936) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
PubChem CID122162936
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2nccnc2-c2ccoc2)cc1
InChIInChI=1S/C19H19N3O3/c1-2-25-16-5-3-14(4-6-16)11-18(23)22-12-17-19(21-9-8-20-17)15-7-10-24-13-15/h3-10,13H,2,11-12H2,1H3,(H,22,23)
InChIKeyYXWTUFWQIYSGFB-UHFFFAOYSA-N
XLogP2.99
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide (CID 122162936) is 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide is CCOc1ccc(CC(=O)NCc2nccnc2-c2ccoc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide?
The InChIKey is YXWTUFWQIYSGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-25-16-5-3-14(4-6-16)11-18(23)22-12-17-19(21-9-8-20-17)15-7-10-24-13-15/h3-10,13H,2,11-12H2,1H3,(H,22,23).
What are the key properties of 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide?
2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 122162936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).