[3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

C20H25NO5 — CID 25135301

IUPAC[3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(O)CC2
InChIInChI=1S/C20H25NO5/c1-4-25-19(24)26-17-16(15-11-12(2)5-6-13(15)3)18(23)21-20(17)9-7-14(22)8-10-20/h5-6,11,14,22H,4,7-10H2,1-3H3,(H,21,23)
InChIKeyJHHBWESLEWKHFK-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.99
Rot. Bonds3

About [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

[3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (PubChem CID 25135301) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
PubChem CID25135301
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name[3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(O)CC2
InChIInChI=1S/C20H25NO5/c1-4-25-19(24)26-17-16(15-11-12(2)5-6-13(15)3)18(23)21-20(17)9-7-14(22)8-10-20/h5-6,11,14,22H,4,7-10H2,1-3H3,(H,21,23)
InChIKeyJHHBWESLEWKHFK-UHFFFAOYSA-N
XLogP2.99
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The IUPAC name of [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (CID 25135301) is [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.
What is the SMILES notation for [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The canonical SMILES for [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(O)CC2.
What is the InChIKey of [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The InChIKey is JHHBWESLEWKHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-4-25-19(24)26-17-16(15-11-12(2)5-6-13(15)3)18(23)21-20(17)9-7-14(22)8-10-20/h5-6,11,14,22H,4,7-10H2,1-3H3,(H,21,23).
What are the key properties of [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
[3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate has a molecular weight of 359.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenyl)-8-hydroxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is sourced from PubChem (CID 25135301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).