3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide

C20H27F2N3O2 — CID 119069233

About 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide

3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide (PubChem CID 119069233) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide.

Molecular Properties

• Compound Name: 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide
• PubChem CID: 119069233
• Molecular Formula: C20H27F2N3O2
• Molecular Weight: 379.45 g/mol
• Exact Mass: 379.21
• IUPAC Name: 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide
• SMILES: CCNC(=O)CCN1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1
• InChI: InChI=1S/C20H27F2N3O2/c1-2-23-17(26)7-11-24-12-9-20(14-24)8-4-10-25(19(20)27)13-15-5-3-6-16(21)18(15)22/h3,5-6H,2,4,7-14H2,1H3,(H,23,26)
• InChIKey: VMPXEJDDGGUMJC-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.45
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide?

The IUPAC name of 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide (CID 119069233) is 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide.

What is the SMILES notation for 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide?

The canonical SMILES for 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide is CCNC(=O)CCN1CCC2(CCCN(Cc3cccc(F)c3F)C2=O)C1.

What is the InChIKey of 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide?

The InChIKey is VMPXEJDDGGUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c1-2-23-17(26)7-11-24-12-9-20(14-24)8-4-10-25(19(20)27)13-15-5-3-6-16(21)18(15)22/h3,5-6H,2,4,7-14H2,1H3,(H,23,26).

What are the key properties of 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide?

3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide has a molecular weight of 379.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide is sourced from PubChem (CID 119069233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).