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

IUPACN-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide
SMILESCN1CCC2(CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(C4CCOCC4)o3)CC2)C1=O
InChIInChI=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)
InChIKeyAKZIICKCXWMMJU-UHFFFAOYSA-N
MW505.54 g/mol
LogP4.89
Rot. Bonds4

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 NameN-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide
PubChem CID138517968
Molecular FormulaC26H30F3N3O4
Molecular Weight505.54 g/mol
Exact Mass505.22
IUPAC NameN-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide
SMILESCN1CCC2(CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(C4CCOCC4)o3)CC2)C1=O
InChIInChI=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)
InChIKeyAKZIICKCXWMMJU-UHFFFAOYSA-N
XLogP4.89
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).