N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide

C26H30F3N3O4 — CID 138517968

About N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide

N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide (PubChem CID 138517968) has the molecular formula C26H30F3N3O4 and a molecular weight of 505.54 g/mol. Its IUPAC name is N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide
• PubChem CID: 138517968
• Molecular Formula: C26H30F3N3O4
• Molecular Weight: 505.54 g/mol
• Exact Mass: 505.22
• IUPAC Name: N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide
• SMILES: CN1CCC2(CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(C4CCOCC4)o3)CC2)C1=O
• InChI: InChI=1S/C26H30F3N3O4/c1-31-11-8-25(24(31)34)9-12-32(13-10-25)20-3-2-18(26(27,28)29)16-19(20)30-23(33)22-5-4-21(36-22)17-6-14-35-15-7-17/h2-5,16-17H,6-15H2,1H3,(H,30,33)
• InChIKey: AKZIICKCXWMMJU-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.54
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide?

The IUPAC name of N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide (CID 138517968) is N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide.

What is the SMILES notation for N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide?

The canonical SMILES for N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide is CN1CCC2(CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(C4CCOCC4)o3)CC2)C1=O.

What is the InChIKey of N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide?

The InChIKey is AKZIICKCXWMMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O4/c1-31-11-8-25(24(31)34)9-12-32(13-10-25)20-3-2-18(26(27,28)29)16-19(20)30-23(33)22-5-4-21(36-22)17-6-14-35-15-7-17/h2-5,16-17H,6-15H2,1H3,(H,30,33).

What are the key properties of N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide?

N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide has a molecular weight of 505.54 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide is sourced from PubChem (CID 138517968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).