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

C20H25NO6 — CID 66794085

IUPAC[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C20H25NO6/c1-5-25-19(23)26-17-16(15-12-13(2)6-7-14(15)3)18(22)27-20(17)8-10-21(24-4)11-9-20/h6-7,12H,5,8-11H2,1-4H3
InChIKeyGSDJYUTXDIDEIA-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.14
Rot. Bonds4

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

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (PubChem CID 66794085) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
PubChem CID66794085
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C20H25NO6/c1-5-25-19(23)26-17-16(15-12-13(2)6-7-14(15)3)18(22)27-20(17)8-10-21(24-4)11-9-20/h6-7,12H,5,8-11H2,1-4H3
InChIKeyGSDJYUTXDIDEIA-UHFFFAOYSA-N
XLogP3.14
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The IUPAC name of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (CID 66794085) is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.
What is the SMILES notation for [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The canonical SMILES for [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)OC12CCN(OC)CC2.
What is the InChIKey of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The InChIKey is GSDJYUTXDIDEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-5-25-19(23)26-17-16(15-12-13(2)6-7-14(15)3)18(22)27-20(17)8-10-21(24-4)11-9-20/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate has a molecular weight of 375.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is sourced from PubChem (CID 66794085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).