ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate

C20H25NO5 — CID 15390294

IUPACethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2ccccc2C)C(=O)NC12CCC(OC)CC2
InChIInChI=1S/C20H25NO5/c1-4-25-19(23)26-17-16(15-8-6-5-7-13(15)2)18(22)21-20(17)11-9-14(24-3)10-12-20/h5-8,14H,4,9-12H2,1-3H3,(H,21,22)
InChIKeyXGVHDRXORAWDOF-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.34
Rot. Bonds4

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

ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate (PubChem CID 15390294) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate
PubChem CID15390294
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Nameethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2ccccc2C)C(=O)NC12CCC(OC)CC2
InChIInChI=1S/C20H25NO5/c1-4-25-19(23)26-17-16(15-8-6-5-7-13(15)2)18(22)21-20(17)11-9-14(24-3)10-12-20/h5-8,14H,4,9-12H2,1-3H3,(H,21,22)
InChIKeyXGVHDRXORAWDOF-UHFFFAOYSA-N
XLogP3.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The IUPAC name of ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate (CID 15390294) is ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate.
What is the SMILES notation for ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The canonical SMILES for ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate is CCOC(=O)OC1=C(c2ccccc2C)C(=O)NC12CCC(OC)CC2.
What is the InChIKey of ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The InChIKey is XGVHDRXORAWDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-4-25-19(23)26-17-16(15-8-6-5-7-13(15)2)18(22)21-20(17)11-9-14(24-3)10-12-20/h5-8,14H,4,9-12H2,1-3H3,(H,21,22).
What are the key properties of ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate?
ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate has a molecular weight of 359.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate is sourced from PubChem (CID 15390294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).