3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C25H36N2O5 — CID 123196161

IUPAC3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCN(CCC4CCC5C(=O)OCC5C4C)CC3)CC2C)COC1=O
InChIInChI=1S/C25H36N2O5/c1-15-12-25(24(30)27(15)21-14-32-22(28)17(21)3)7-10-26(11-8-25)9-6-18-4-5-19-20(16(18)2)13-31-23(19)29/h15-16,18-20H,4-14H2,1-3H3
InChIKeyJGKQYJJDAXJMIY-UHFFFAOYSA-N
MW444.57 g/mol
LogP2.75
Rot. Bonds4

About 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 123196161) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID123196161
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Name3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCN(CCC4CCC5C(=O)OCC5C4C)CC3)CC2C)COC1=O
InChIInChI=1S/C25H36N2O5/c1-15-12-25(24(30)27(15)21-14-32-22(28)17(21)3)7-10-26(11-8-25)9-6-18-4-5-19-20(16(18)2)13-31-23(19)29/h15-16,18-20H,4-14H2,1-3H3
InChIKeyJGKQYJJDAXJMIY-UHFFFAOYSA-N
XLogP2.75
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 123831703
(3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 118232984
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[2-methyl-4-(tetrazol-1-yl)phenyl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 123329735
N-ethyl-1-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 123833137
3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 130450932
3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl(5H-tetrazolo[5,1-a]isoindol-7-ylmethyl)amino]-2-azaspiro[4.5]decan-1-one
CID 123758720
N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 144885576
8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 72725268
(3aR,4S,5R,7aS)-5-hydroxy-4-methyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 130892052
8-[2-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 123737658
3,3-diethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one
CID 135212214
(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11252672

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 123196161) is 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2C(=O)C3(CCN(CCC4CCC5C(=O)OCC5C4C)CC3)CC2C)COC1=O.
What is the InChIKey of 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JGKQYJJDAXJMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O5/c1-15-12-25(24(30)27(15)21-14-32-22(28)17(21)3)7-10-26(11-8-25)9-6-18-4-5-19-20(16(18)2)13-31-23(19)29/h15-16,18-20H,4-14H2,1-3H3.
What are the key properties of 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 444.57 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[2-(4-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 123196161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).