ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate

C21H27NO6 — CID 66793895

IUPACethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C21H27NO6/c1-6-26-20(24)27-18-17(16-14(3)11-13(2)12-15(16)4)19(23)28-21(18)7-9-22(25-5)10-8-21/h11-12H,6-10H2,1-5H3
InChIKeyGHCUSAFVXKIENJ-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.45
Rot. Bonds4

About ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate

ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (PubChem CID 66793895) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
PubChem CID66793895
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Nameethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C21H27NO6/c1-6-26-20(24)27-18-17(16-14(3)11-13(2)12-15(16)4)19(23)28-21(18)7-9-22(25-5)10-8-21/h11-12H,6-10H2,1-5H3
InChIKeyGHCUSAFVXKIENJ-UHFFFAOYSA-N
XLogP3.45
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate with MolForge

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Related Compounds

[3-[4-(Difluoromethyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 66797633
Ethyl [3-(2-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66797670
Ethyl [3-(4-fluorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66797725
[3-(2-Chloro-6-fluoro-3-methylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 66797728
4-Hydroxy-8-methoxy-3-[3-(trifluoromethyl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 66797746
3-[4-(Difluoromethyl)-2,6-dimethylphenyl]-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 66797760
4-Hydroxy-8-methoxy-3-[2-methyl-5-(trifluoromethyl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 67818814
8-Ethoxy-4-hydroxy-3-[3-(trifluoromethyl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 144095277
[8-acetyl-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
CID 54477006
[4-[(1-Methoxypiperidin-4-yl)methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] propan-2-yl carbonate
CID 58481602
[4-[(1-Methoxypiperidin-4-yl)methyl]-3-oxo-2-(2,4,6-trimethylphenyl)cyclopenten-1-yl] acetate
CID 58481631
[3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58512953

Frequently Asked Questions

What is the IUPAC name of ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The IUPAC name of ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (CID 66793895) is ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.
What is the SMILES notation for ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The canonical SMILES for ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is CCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCN(OC)CC2.
What is the InChIKey of ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The InChIKey is GHCUSAFVXKIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6/c1-6-26-20(24)27-18-17(16-14(3)11-13(2)12-15(16)4)19(23)28-21(18)7-9-22(25-5)10-8-21/h11-12H,6-10H2,1-5H3.
What are the key properties of ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate has a molecular weight of 389.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is sourced from PubChem (CID 66793895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).