3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one

C19H25NO4 — CID 139859670

IUPAC3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOCON1C(=O)C(c2c(C)cccc2C)=C(O)C12CCCCC2
InChIInChI=1S/C19H25NO4/c1-13-8-7-9-14(2)15(13)16-17(21)19(10-5-4-6-11-19)20(18(16)22)24-12-23-3/h7-9,21H,4-6,10-12H2,1-3H3
InChIKeyNMMIUOBIZZBYGL-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.65
Rot. Bonds4

About 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one

3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 139859670) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID139859670
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOCON1C(=O)C(c2c(C)cccc2C)=C(O)C12CCCCC2
InChIInChI=1S/C19H25NO4/c1-13-8-7-9-14(2)15(13)16-17(21)19(10-5-4-6-11-19)20(18(16)22)24-12-23-3/h7-9,21H,4-6,10-12H2,1-3H3
InChIKeyNMMIUOBIZZBYGL-UHFFFAOYSA-N
XLogP3.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylphenyl)-1,8-bis(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 139860097
2-(2,6-dimethylphenyl)-4-ethoxy-1-hydroxy-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one
CID 101256781
3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-5-methyl-5-(oxolan-2-ylmethyl)pyrrol-2-one
CID 139859742
3-(4-chloro-2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58428060
[4-(2,6-dimethylphenyl)-1-(methoxymethoxy)-2,2-dimethyl-5-oxopyrrol-3-yl] 2-methylbenzoate
CID 139859713
[3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 139919798
4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58428052
[3-(2,4-dimethylphenyl)-8-methoxy-1-(methoxymethoxy)-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58427961
3-(2-chloro-4,6-dimethylphenyl)-4,8-dihydroxy-1-(hydroxymethoxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 130238807
3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one
CID 139859792
ethyl 2-[[3-(2,5-dimethylphenyl)-8-methoxy-1-(methoxymethoxy)-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl]oxy]acetate
CID 123708774
4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 121297103

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one (CID 139859670) is 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one is COCON1C(=O)C(c2c(C)cccc2C)=C(O)C12CCCCC2.
What is the InChIKey of 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is NMMIUOBIZZBYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13-8-7-9-14(2)15(13)16-17(21)19(10-5-4-6-11-19)20(18(16)22)24-12-23-3/h7-9,21H,4-6,10-12H2,1-3H3.
What are the key properties of 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one?
3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 331.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 139859670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).