3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one

C21H29NO4 — CID 143193302

IUPAC3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCCc1cc(C)cc(OC)c1C1=C(OC)C2(CCC(OC)CC2)NC1=O
InChIInChI=1S/C21H29NO4/c1-6-14-11-13(2)12-16(25-4)17(14)18-19(26-5)21(22-20(18)23)9-7-15(24-3)8-10-21/h11-12,15H,6-10H2,1-5H3,(H,22,23)
InChIKeyAJMFBMRPLJXZJP-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.38
Rot. Bonds5

About 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one

3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 143193302) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID143193302
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCCc1cc(C)cc(OC)c1C1=C(OC)C2(CCC(OC)CC2)NC1=O
InChIInChI=1S/C21H29NO4/c1-6-14-11-13(2)12-16(25-4)17(14)18-19(26-5)21(22-20(18)23)9-7-15(24-3)8-10-21/h11-12,15H,6-10H2,1-5H3,(H,22,23)
InChIKeyAJMFBMRPLJXZJP-UHFFFAOYSA-N
XLogP3.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[3-(2-ethyl-6-methoxy-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methylsulfanylmethanethioate
CID 59302012
3-(4-chloro-2-ethyl-6-methoxyphenyl)-8-methoxy-4-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 71034928
[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
CID 59538238
[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] prop-2-enyl carbonate
CID 59538258
[3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59758675
3-(2,6-diethyl-4-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;[3-(2,6-diethyl-4-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate;N,N-dimethylcarbamoyl chloride;chloride
CID 160950378
[3-(2-chloro-6-methoxy-4-methylphenyl)-8-(hydroxymethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58385708
[3-(2,6-diethyl-4-methylphenyl)-8-methyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 59538243
3-(4-bromo-2,6-diethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 58989234
3-(4-chloro-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 58989225
3-(2-ethyl-6-methoxy-4-methylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one;3-(2-ethyl-6-methoxy-4-methylphenyl)-4-methoxycarbothioyloxy-1-azaspiro[4.5]dec-3-en-2-one;O-methyl chloromethanethioate
CID 158709333
3-(4-bromo-2-ethyl-6-methylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 54706411

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one (CID 143193302) is 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one is CCc1cc(C)cc(OC)c1C1=C(OC)C2(CCC(OC)CC2)NC1=O.
What is the InChIKey of 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is AJMFBMRPLJXZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-6-14-11-13(2)12-16(25-4)17(14)18-19(26-5)21(22-20(18)23)9-7-15(24-3)8-10-21/h11-12,15H,6-10H2,1-5H3,(H,22,23).
What are the key properties of 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one?
3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 359.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 143193302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).