[3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate

C24H29NO6 — CID 139919798

IUPAC[3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
SMILESCCOCON1C(=O)C(c2c(C)cccc2C)=C(OC(=O)C2CC2)C12CCC(=O)CC2
InChIInChI=1S/C24H29NO6/c1-4-29-14-30-25-22(27)20(19-15(2)6-5-7-16(19)3)21(31-23(28)17-8-9-17)24(25)12-10-18(26)11-13-24/h5-7,17H,4,8-14H2,1-3H3
InChIKeyWSVFGYBWRIYZRI-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.62
Rot. Bonds7

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

[3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate (PubChem CID 139919798) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is [3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
PubChem CID139919798
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name[3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
SMILESCCOCON1C(=O)C(c2c(C)cccc2C)=C(OC(=O)C2CC2)C12CCC(=O)CC2
InChIInChI=1S/C24H29NO6/c1-4-29-14-30-25-22(27)20(19-15(2)6-5-7-16(19)3)21(31-23(28)17-8-9-17)24(25)12-10-18(26)11-13-24/h5-7,17H,4,8-14H2,1-3H3
InChIKeyWSVFGYBWRIYZRI-UHFFFAOYSA-N
XLogP3.62
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
[1-(ethoxymethoxy)-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] cyclobutanecarboxylate
CID 139859661
[3-(2,6-dimethylphenyl)-8-(ethoxymethoxy)-1-(1-methoxyethoxy)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 139919779
3-(2-chlorophenyl)-1-(ethoxymethoxy)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
CID 139919790
[3-(2,6-dimethylphenyl)-8-methoxy-1-(1-methoxyethyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 139860160
[3-(3-chloro-2,6-dimethylphenyl)-8-methoxy-1-(methoxymethoxy)-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58428093
[3-(2,4-dimethylphenyl)-8-methoxy-1-(methoxymethoxy)-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58427961
[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
3-(2,6-dimethylphenyl)-4-hydroxy-1-(methoxymethoxy)-1-azaspiro[4.5]dec-3-en-2-one
CID 139859670
[1-methoxy-2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)pyrrol-3-yl] cyclopropanecarboxylate
CID 139860150
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-(3-chloro-2,6-dimethylphenyl)-1-(hydroxymethoxy)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 130238770

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The IUPAC name of [3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate (CID 139919798) is [3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate.
What is the SMILES notation for [3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The canonical SMILES for [3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate is CCOCON1C(=O)C(c2c(C)cccc2C)=C(OC(=O)C2CC2)C12CCC(=O)CC2.
What is the InChIKey of [3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The InChIKey is WSVFGYBWRIYZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO6/c1-4-29-14-30-25-22(27)20(19-15(2)6-5-7-16(19)3)21(31-23(28)17-8-9-17)24(25)12-10-18(26)11-13-24/h5-7,17H,4,8-14H2,1-3H3.
What are the key properties of [3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
[3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate has a molecular weight of 427.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylphenyl)-1-(ethoxymethoxy)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate is sourced from PubChem (CID 139919798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).