2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide

C15H20F2N4O4 — CID 167951642

IUPAC2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide
SMILESCOCCC(=O)N1CCOC(CNC(=O)C(F)(F)c2cnccn2)C1
InChIInChI=1S/C15H20F2N4O4/c1-24-6-2-13(22)21-5-7-25-11(10-21)8-20-14(23)15(16,17)12-9-18-3-4-19-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,23)
InChIKeyYQBFFLMLZCOBHO-UHFFFAOYSA-N
MW358.35 g/mol
LogP-0.05
Rot. Bonds7

About 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide

2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide (PubChem CID 167951642) has the molecular formula C15H20F2N4O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide
PubChem CID167951642
Molecular FormulaC15H20F2N4O4
Molecular Weight358.35 g/mol
Exact Mass358.15
IUPAC Name2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide
SMILESCOCCC(=O)N1CCOC(CNC(=O)C(F)(F)c2cnccn2)C1
InChIInChI=1S/C15H20F2N4O4/c1-24-6-2-13(22)21-5-7-25-11(10-21)8-20-14(23)15(16,17)12-9-18-3-4-19-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,23)
InChIKeyYQBFFLMLZCOBHO-UHFFFAOYSA-N
XLogP-0.05
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide?
The IUPAC name of 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide (CID 167951642) is 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide?
The canonical SMILES for 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide is COCCC(=O)N1CCOC(CNC(=O)C(F)(F)c2cnccn2)C1.
What is the InChIKey of 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide?
The InChIKey is YQBFFLMLZCOBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O4/c1-24-6-2-13(22)21-5-7-25-11(10-21)8-20-14(23)15(16,17)12-9-18-3-4-19-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,23).
What are the key properties of 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide?
2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide has a molecular weight of 358.35 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[4-(3-methoxypropanoyl)morpholin-2-yl]methyl]-2-pyrazin-2-ylacetamide is sourced from PubChem (CID 167951642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).