4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

C24H34N2O5 — CID 58428052

IUPAC4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1c(C)cc(C)cc1C)C(=O)N2OCC1CCCOC1
InChIInChI=1S/C24H34N2O5/c1-16-12-17(2)20(18(3)13-16)21-22(27)24(7-9-25(29-4)10-8-24)26(23(21)28)31-15-19-6-5-11-30-14-19/h12-13,19,27H,5-11,14-15H2,1-4H3
InChIKeyADGJYQAXPUYVOB-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.48
Rot. Bonds5

About 4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one

4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 58428052) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID58428052
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1c(C)cc(C)cc1C)C(=O)N2OCC1CCCOC1
InChIInChI=1S/C24H34N2O5/c1-16-12-17(2)20(18(3)13-16)21-22(27)24(7-9-25(29-4)10-8-24)26(23(21)28)31-15-19-6-5-11-30-14-19/h12-13,19,27H,5-11,14-15H2,1-4H3
InChIKeyADGJYQAXPUYVOB-UHFFFAOYSA-N
XLogP3.48
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[1-(cyclopropylmethoxy)-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58428058
1-cyclopropyl-4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58537934
3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58537962
3-(2-chloro-4,6-dimethylphenyl)-4,8-dihydroxy-1-(hydroxymethoxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 130238807
4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,4,5-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58428076
4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-3-(2,3,4-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58427988
3-(4-chloro-2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58428060
4,8-dihydroxy-1-(3-methoxypropyl)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 121297103
4,8-dihydroxy-1-[(3-methyloxetan-3-yl)methyl]-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 121297066
ethyl [8-methoxy-2-oxo-1-propan-2-yloxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] carbonate
CID 58428159
ethyl [1-[hydroxy(methoxy)methoxy]-8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] carbonate
CID 134333298
3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one
CID 139859670

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 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) is 4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)C(O)=C(c1c(C)cc(C)cc1C)C(=O)N2OCC1CCCOC1.
What is the InChIKey of 4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is ADGJYQAXPUYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-16-12-17(2)20(18(3)13-16)21-22(27)24(7-9-25(29-4)10-8-24)26(23(21)28)31-15-19-6-5-11-30-14-19/h12-13,19,27H,5-11,14-15H2,1-4H3.
What are the key properties of 4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one?
4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 430.55 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-1-(oxan-3-ylmethoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58428052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).