2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide

C19H23N3O5 — CID 66829799

IUPAC2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1c(C(=O)Cc2cnccn2)ccc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-4-7-22-17(24)12-27-18-14(5-6-16(25-2)19(18)26-3)15(23)10-13-11-20-8-9-21-13/h5-6,8-9,11H,4,7,10,12H2,1-3H3,(H,22,24)
InChIKeyGTELPGRUGWWEFG-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.82
Rot. Bonds10

About 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide

2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide (PubChem CID 66829799) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide
PubChem CID66829799
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1c(C(=O)Cc2cnccn2)ccc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-4-7-22-17(24)12-27-18-14(5-6-16(25-2)19(18)26-3)15(23)10-13-11-20-8-9-21-13/h5-6,8-9,11H,4,7,10,12H2,1-3H3,(H,22,24)
InChIKeyGTELPGRUGWWEFG-UHFFFAOYSA-N
XLogP1.82
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide?
The IUPAC name of 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide (CID 66829799) is 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide is CCCNC(=O)COc1c(C(=O)Cc2cnccn2)ccc(OC)c1OC.
What is the InChIKey of 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide?
The InChIKey is GTELPGRUGWWEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-4-7-22-17(24)12-27-18-14(5-6-16(25-2)19(18)26-3)15(23)10-13-11-20-8-9-21-13/h5-6,8-9,11H,4,7,10,12H2,1-3H3,(H,22,24).
What are the key properties of 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide?
2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide has a molecular weight of 373.41 g/mol, XLogP of 1.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide is sourced from PubChem (CID 66829799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).