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

C26H32N2O6 — CID 86709543

IUPAC8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(C(C)(C)C(O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O
InChIInChI=1S/C26H32N2O6/c1-15-17(5-6-18-19(15)13-33-23(18)31)21(29)25(3,4)27-10-7-26(8-11-27)9-12-28(24(26)32)20-14-34-22(30)16(20)2/h5-6,21,29H,7-14H2,1-4H3
InChIKeyIJDQFDGTJJMNGX-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.62
Rot. Bonds4

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

8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 86709543) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID86709543
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(C(C)(C)C(O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O
InChIInChI=1S/C26H32N2O6/c1-15-17(5-6-18-19(15)13-33-23(18)31)21(29)25(3,4)27-10-7-26(8-11-27)9-12-28(24(26)32)20-14-34-22(30)16(20)2/h5-6,21,29H,7-14H2,1-4H3
InChIKeyIJDQFDGTJJMNGX-UHFFFAOYSA-N
XLogP2.62
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 86709543) is 8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCN(C(C)(C)C(O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O.
What is the InChIKey of 8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is IJDQFDGTJJMNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-15-17(5-6-18-19(15)13-33-23(18)31)21(29)25(3,4)27-10-7-26(8-11-27)9-12-28(24(26)32)20-14-34-22(30)16(20)2/h5-6,21,29H,7-14H2,1-4H3.
What are the key properties of 8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 468.55 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-hydroxy-2-methyl-1-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 86709543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).