2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide

C16H18F2N2O5 — CID 25009375

IUPAC2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C16H18F2N2O5/c1-19-14(21)8-23-13-6-10(2-3-12(13)24-15(17)18)11-7-16(25-20-11)4-5-22-9-16/h2-3,6,15H,4-5,7-9H2,1H3,(H,19,21)
InChIKeyORABMQSVAJXFTQ-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.70
Rot. Bonds6

About 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide

2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide (PubChem CID 25009375) has the molecular formula C16H18F2N2O5 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide
PubChem CID25009375
Molecular FormulaC16H18F2N2O5
Molecular Weight356.33 g/mol
Exact Mass356.12
IUPAC Name2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F
InChIInChI=1S/C16H18F2N2O5/c1-19-14(21)8-23-13-6-10(2-3-12(13)24-15(17)18)11-7-16(25-20-11)4-5-22-9-16/h2-3,6,15H,4-5,7-9H2,1H3,(H,19,21)
InChIKeyORABMQSVAJXFTQ-UHFFFAOYSA-N
XLogP1.70
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide (CID 25009375) is 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide is CNC(=O)COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide?
The InChIKey is ORABMQSVAJXFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O5/c1-19-14(21)8-23-13-6-10(2-3-12(13)24-15(17)18)11-7-16(25-20-11)4-5-22-9-16/h2-3,6,15H,4-5,7-9H2,1H3,(H,19,21).
What are the key properties of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide?
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide has a molecular weight of 356.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 25009375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).