2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one

C25H30N2O6 — CID 72950247

IUPAC2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)C(C)OC1=O
InChIInChI=1S/C25H30N2O6/c1-14-17(4-5-18-19(14)13-32-23(18)30)20(28)12-26-9-6-25(7-10-26)8-11-27(24(25)31)21-15(2)22(29)33-16(21)3/h4-5,16,20,28H,6-13H2,1-3H3/t16?,20-/m0/s1
InChIKeyUAUQZACNNXSYJN-FZCLLLDFSA-N
MW454.52 g/mol
LogP2.23
Rot. Bonds4

About 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one

2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 72950247) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID72950247
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)C(C)OC1=O
InChIInChI=1S/C25H30N2O6/c1-14-17(4-5-18-19(14)13-32-23(18)30)20(28)12-26-9-6-25(7-10-26)8-11-27(24(25)31)21-15(2)22(29)33-16(21)3/h4-5,16,20,28H,6-13H2,1-3H3/t16?,20-/m0/s1
InChIKeyUAUQZACNNXSYJN-FZCLLLDFSA-N
XLogP2.23
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one (CID 72950247) is 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)C(C)OC1=O.
What is the InChIKey of 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UAUQZACNNXSYJN-FZCLLLDFSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-14-17(4-5-18-19(14)13-32-23(18)30)20(28)12-26-9-6-25(7-10-26)8-11-27(24(25)31)21-15(2)22(29)33-16(21)3/h4-5,16,20,28H,6-13H2,1-3H3/t16?,20-/m0/s1.
What are the key properties of 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 454.52 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-5-oxo-2H-furan-3-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 72950247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).