[3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate

C25H33NO5 — CID 139860160

IUPAC[3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
SMILESCOC1CCC2(CC1)C(OC(=O)C1CC1)=C(c1c(C)cccc1C)C(=O)N2C(C)OC
InChIInChI=1S/C25H33NO5/c1-15-7-6-8-16(2)20(15)21-22(31-24(28)18-9-10-18)25(13-11-19(30-5)12-14-25)26(23(21)27)17(3)29-4/h6-8,17-19H,9-14H2,1-5H3
InChIKeyUTPHATCGZBVKBY-UHFFFAOYSA-N
MW427.54 g/mol
LogP4.13
Rot. Bonds6

About [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate

[3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate (PubChem CID 139860160) has the molecular formula C25H33NO5 and a molecular weight of 427.54 g/mol. Its IUPAC name is [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
PubChem CID139860160
Molecular FormulaC25H33NO5
Molecular Weight427.54 g/mol
Exact Mass427.24
IUPAC Name[3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
SMILESCOC1CCC2(CC1)C(OC(=O)C1CC1)=C(c1c(C)cccc1C)C(=O)N2C(C)OC
InChIInChI=1S/C25H33NO5/c1-15-7-6-8-16(2)20(15)21-22(31-24(28)18-9-10-18)25(13-11-19(30-5)12-14-25)26(23(21)27)17(3)29-4/h6-8,17-19H,9-14H2,1-5H3
InChIKeyUTPHATCGZBVKBY-UHFFFAOYSA-N
XLogP4.13
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The IUPAC name of [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate (CID 139860160) is [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate.
What is the SMILES notation for [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The canonical SMILES for [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate is COC1CCC2(CC1)C(OC(=O)C1CC1)=C(c1c(C)cccc1C)C(=O)N2C(C)OC.
What is the InChIKey of [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The InChIKey is UTPHATCGZBVKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO5/c1-15-7-6-8-16(2)20(15)21-22(31-24(28)18-9-10-18)25(13-11-19(30-5)12-14-25)26(23(21)27)17(3)29-4/h6-8,17-19H,9-14H2,1-5H3.
What are the key properties of [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
[3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate has a molecular weight of 427.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate is sourced from PubChem (CID 139860160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).