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

C16H18F2N2O5 — CID 142781940

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

2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide (PubChem CID 142781940) 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]propanamide.

Molecular Properties

• Compound Name: 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide
• PubChem CID: 142781940
• Molecular Formula: C16H18F2N2O5
• Molecular Weight: 356.33 g/mol
• Exact Mass: 356.12
• IUPAC Name: 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide
• SMILES: CC(Oc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F)C(N)=O
• InChI: InChI=1S/C16H18F2N2O5/c1-9(14(19)21)23-13-6-10(2-3-12(13)24-15(17)18)11-7-16(25-20-11)4-5-22-8-16/h2-3,6,9,15H,4-5,7-8H2,1H3,(H2,19,21)
• InChIKey: JTHOHJPNBXEMDD-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 92.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.33
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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]propanamide?

The IUPAC name of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide (CID 142781940) is 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide.

What is the SMILES notation for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide?

The canonical SMILES for 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide is CC(Oc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F)C(N)=O.

What is the InChIKey of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide?

The InChIKey is JTHOHJPNBXEMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O5/c1-9(14(19)21)23-13-6-10(2-3-12(13)24-15(17)18)11-7-16(25-20-11)4-5-22-8-16/h2-3,6,9,15H,4-5,7-8H2,1H3,(H2,19,21).

What are the key properties of 2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide?

2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide has a molecular weight of 356.33 g/mol, XLogP of 1.82, 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]propanamide is sourced from PubChem (CID 142781940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).