ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate

C19H24N2O3 — CID 155051932

IUPACethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate
SMILESCCCC(C)(C)Oc1nccnc1-c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C19H24N2O3/c1-5-11-19(3,4)24-17-16(20-12-13-21-17)14-7-9-15(10-8-14)18(22)23-6-2/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyUTFMYUAWBVIEJF-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.28
Rot. Bonds7

About ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate

ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate (PubChem CID 155051932) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate
PubChem CID155051932
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate
SMILESCCCC(C)(C)Oc1nccnc1-c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C19H24N2O3/c1-5-11-19(3,4)24-17-16(20-12-13-21-17)14-7-9-15(10-8-14)18(22)23-6-2/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyUTFMYUAWBVIEJF-UHFFFAOYSA-N
XLogP4.28
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate?
The IUPAC name of ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate (CID 155051932) is ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate?
The canonical SMILES for ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate is CCCC(C)(C)Oc1nccnc1-c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate?
The InChIKey is UTFMYUAWBVIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-11-19(3,4)24-17-16(20-12-13-21-17)14-7-9-15(10-8-14)18(22)23-6-2/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate?
ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate has a molecular weight of 328.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-methylpentan-2-yloxy)pyrazin-2-yl]benzoate is sourced from PubChem (CID 155051932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).