[3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

C20H25NO4 — CID 70956410

IUPAC[3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCCCC2
InChIInChI=1S/C20H25NO4/c1-4-24-19(23)25-17-16(15-12-13(2)8-9-14(15)3)18(22)21-20(17)10-6-5-7-11-20/h8-9,12H,4-7,10-11H2,1-3H3,(H,21,22)
InChIKeyZWSZZESOUWZLSI-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.02
Rot. Bonds3

About [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

[3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (PubChem CID 70956410) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
PubChem CID70956410
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name[3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCCCC2
InChIInChI=1S/C20H25NO4/c1-4-24-19(23)25-17-16(15-12-13(2)8-9-14(15)3)18(22)21-20(17)10-6-5-7-11-20/h8-9,12H,4-7,10-11H2,1-3H3,(H,21,22)
InChIKeyZWSZZESOUWZLSI-UHFFFAOYSA-N
XLogP4.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate;ethane
CID 143608016
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] propyl carbonate
CID 58031266
[3-(5-bromo-2-methylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58031268
[3-(2-chloro-5-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] hydrogen carbonate
CID 71214526
[3-(4-ethoxy-2-methylphenyl)-2-oxo-1-azaspiro[4.6]undec-3-en-4-yl] N-ethylcarbamate
CID 59930875
ethyl 3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-ene-4-carboxylate
CID 142775888
ethyl [8-methoxyimino-2-oxo-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 21134203
[8-ethoxy-2-oxo-3-(2,4,5-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 11326976
3-[2,5-dimethyl-4-(4-methylphenyl)phenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one;[3-[2,5-dimethyl-4-(4-methylphenyl)phenyl]-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate;propane
CID 159545759
[3-(2-ethyl-4,6-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate
CID 59030299
ethyl [3-(4-methoxy-2,6-dimethylphenyl)-8-methyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 59930864
[3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59758675

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The IUPAC name of [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (CID 70956410) is [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.
What is the SMILES notation for [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The canonical SMILES for [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCCCC2.
What is the InChIKey of [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The InChIKey is ZWSZZESOUWZLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-24-19(23)25-17-16(15-12-13(2)8-9-14(15)3)18(22)21-20(17)10-6-5-7-11-20/h8-9,12H,4-7,10-11H2,1-3H3,(H,21,22).
What are the key properties of [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
[3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate has a molecular weight of 343.42 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is sourced from PubChem (CID 70956410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).