9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C24H28N2O7 — CID 121344151

IUPAC9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCc1c(C(O)CN2CCC3(CC2)OCC(C)N(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C24H28N2O7/c1-14-11-33-24(23(30)26(14)16-9-21(28)31-12-16)5-7-25(8-6-24)10-20(27)17-3-4-18-19(15(17)2)13-32-22(18)29/h3-4,9,14,20,27H,5-8,10-13H2,1-2H3
InChIKeyNDMCSDWLLXMYPN-UHFFFAOYSA-N
MW456.50 g/mol
LogP1.22
Rot. Bonds4

About 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 121344151) has the molecular formula C24H28N2O7 and a molecular weight of 456.50 g/mol. Its IUPAC name is 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID121344151
Molecular FormulaC24H28N2O7
Molecular Weight456.50 g/mol
Exact Mass456.19
IUPAC Name9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCc1c(C(O)CN2CCC3(CC2)OCC(C)N(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C24H28N2O7/c1-14-11-33-24(23(30)26(14)16-9-21(28)31-12-16)5-7-25(8-6-24)10-20(27)17-3-4-18-19(15(17)2)13-32-22(18)29/h3-4,9,14,20,27H,5-8,10-13H2,1-2H3
InChIKeyNDMCSDWLLXMYPN-UHFFFAOYSA-N
XLogP1.22
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one with MolForge

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Launch Full Analysis

Related Compounds

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
5-[2-(azetidin-1-yl)-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 154464322
5-[(1R)-2-(4-aminopiperidin-1-yl)-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 86730581
1-[[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-3-(5-oxo-2H-furan-3-yl)imidazolidin-2-one
CID 122454045
5-[(1R)-1-hydroxy-2-(11-hydroxy-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 122668687
5-[(1R)-1-chloro-2-[3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 118196944
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 122452761
5-[(1R)-1-hydroxy-2-piperazin-1-ylethyl]-4-methyl-3H-2-benzofuran-1-one
CID 59568728
2-(2-aminopyrimidin-4-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 121314018
5-[(1S)-1-methoxy-2-[3-(5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-9-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
CID 118200964
9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 121315839
[1-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]cyclobutyl]azanium
CID 140694642

Frequently Asked Questions

What is the IUPAC name of 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 121344151) is 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is Cc1c(C(O)CN2CCC3(CC2)OCC(C)N(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O.
What is the InChIKey of 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is NDMCSDWLLXMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O7/c1-14-11-33-24(23(30)26(14)16-9-21(28)31-12-16)5-7-25(8-6-24)10-20(27)17-3-4-18-19(15(17)2)13-32-22(18)29/h3-4,9,14,20,27H,5-8,10-13H2,1-2H3.
What are the key properties of 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 456.50 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methyl-4-(5-oxo-2H-furan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 121344151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).