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

C27H38N2O5 — CID 123831703

IUPAC3-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
SMILESCC1=C(N2C(=O)C3(CCN(CCC4CCC5C(=O)OCC5C4C)CC3)CC2C2CC2)COC1=O
InChIInChI=1S/C27H38N2O5/c1-16-18(5-6-20-21(16)14-33-25(20)31)7-10-28-11-8-27(9-12-28)13-22(19-3-4-19)29(26(27)32)23-15-34-24(30)17(23)2/h16,18-22H,3-15H2,1-2H3
InChIKeyIJDLLWUMCWDMBA-UHFFFAOYSA-N
MW470.61 g/mol
LogP3.14
Rot. Bonds5

About 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

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 (PubChem CID 123831703) has the molecular formula C27H38N2O5 and a molecular weight of 470.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID123831703
Molecular FormulaC27H38N2O5
Molecular Weight470.61 g/mol
Exact Mass470.28
IUPAC Name3-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
SMILESCC1=C(N2C(=O)C3(CCN(CCC4CCC5C(=O)OCC5C4C)CC3)CC2C2CC2)COC1=O
InChIInChI=1S/C27H38N2O5/c1-16-18(5-6-20-21(16)14-33-25(20)31)7-10-28-11-8-27(9-12-28)13-22(19-3-4-19)29(26(27)32)23-15-34-24(30)17(23)2/h16,18-22H,3-15H2,1-2H3
InChIKeyIJDLLWUMCWDMBA-UHFFFAOYSA-N
XLogP3.14
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
(3S)-8-amino-3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 118232984
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-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
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
3,5-dimethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)-3-[(5-methylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 130450932
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
(5R)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-pyrrolidine]-2'-one
CID 72950411
8-[(2R)-2-methoxy-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 72948280

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(N2C(=O)C3(CCN(CCC4CCC5C(=O)OCC5C4C)CC3)CC2C2CC2)COC1=O.
What is the InChIKey of 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?
The InChIKey is IJDLLWUMCWDMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O5/c1-16-18(5-6-20-21(16)14-33-25(20)31)7-10-28-11-8-27(9-12-28)13-22(19-3-4-19)29(26(27)32)23-15-34-24(30)17(23)2/h16,18-22H,3-15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 470.61 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123831703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).