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

C24H28N2O6 — CID 72950078

IUPAC8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2C)C3=O)ccc2c1COC2=O
InChIInChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)13-31-22(17)29)20(27)12-25-8-5-24(6-9-25)7-10-26(23(24)30)19-11-21(28)32-15(19)2/h3-4,11,15,20,27H,5-10,12-13H2,1-2H3/t15?,20-/m0/s1
InChIKeyYTPYVSHGPFPSMP-MBABXSBOSA-N
MW440.50 g/mol
LogP1.84
Rot. Bonds4

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

8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 72950078) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID72950078
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2C)C3=O)ccc2c1COC2=O
InChIInChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)13-31-22(17)29)20(27)12-25-8-5-24(6-9-25)7-10-26(23(24)30)19-11-21(28)32-15(19)2/h3-4,11,15,20,27H,5-10,12-13H2,1-2H3/t15?,20-/m0/s1
InChIKeyYTPYVSHGPFPSMP-MBABXSBOSA-N
XLogP1.84
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 72950078) is 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2C)C3=O)ccc2c1COC2=O.
What is the InChIKey of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YTPYVSHGPFPSMP-MBABXSBOSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)13-31-22(17)29)20(27)12-25-8-5-24(6-9-25)7-10-26(23(24)30)19-11-21(28)32-15(19)2/h3-4,11,15,20,27H,5-10,12-13H2,1-2H3/t15?,20-/m0/s1.
What are the key properties of 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 440.50 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 72950078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).