ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate

C18H20N2O5 — CID 175128653

IUPACethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccccc1OCc1cnccn1)OC(C)=O
InChIInChI=1S/C18H20N2O5/c1-3-23-18(22)17(25-13(2)21)10-14-6-4-5-7-16(14)24-12-15-11-19-8-9-20-15/h4-9,11,17H,3,10,12H2,1-2H3
InChIKeyNJGSEKWTGKYLEW-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.09
Rot. Bonds8

About ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate

ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate (PubChem CID 175128653) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate
PubChem CID175128653
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Nameethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccccc1OCc1cnccn1)OC(C)=O
InChIInChI=1S/C18H20N2O5/c1-3-23-18(22)17(25-13(2)21)10-14-6-4-5-7-16(14)24-12-15-11-19-8-9-20-15/h4-9,11,17H,3,10,12H2,1-2H3
InChIKeyNJGSEKWTGKYLEW-UHFFFAOYSA-N
XLogP2.09
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (2R)-2-acetyloxy-3-[2-[(2-chloropyrimidin-4-yl)methoxy]phenyl]propanoate
CID 140883199
[2-(pyrazin-2-ylmethoxy)phenyl]methanamine
CID 82037246
ethyl 2-acetyloxy-3-[2-(oxan-2-yloxy)phenyl]propanoate
CID 175083067
ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-chloropyrimidin-4-yl)methoxy]phenyl]propanoate
CID 156720760
ethyl 2-butoxy-3-(2-phenylmethoxyphenyl)propanoate
CID 175236929
5-[(2-ethylphenoxy)methyl]pyrazin-2-amine
CID 103058694
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
ethyl 2-[2-(1H-imidazol-2-ylmethyl)phenoxy]butanoate
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N-[(2-methoxyphenyl)methyl]-1-pyrazin-2-ylpropan-2-amine
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3-(2-methoxyphenyl)-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
CID 91775688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate?
The IUPAC name of ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate (CID 175128653) is ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate.
What is the SMILES notation for ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate?
The canonical SMILES for ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate is CCOC(=O)C(Cc1ccccc1OCc1cnccn1)OC(C)=O.
What is the InChIKey of ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate?
The InChIKey is NJGSEKWTGKYLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-23-18(22)17(25-13(2)21)10-14-6-4-5-7-16(14)24-12-15-11-19-8-9-20-15/h4-9,11,17H,3,10,12H2,1-2H3.
What are the key properties of ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate?
ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate has a molecular weight of 344.37 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoate is sourced from PubChem (CID 175128653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).