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

C19H23NO7 — CID 66797617

IUPACethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2ccc(OC)cc2)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C19H23NO7/c1-4-25-18(22)26-16-15(13-5-7-14(23-2)8-6-13)17(21)27-19(16)9-11-20(24-3)12-10-19/h5-8H,4,9-12H2,1-3H3
InChIKeyVDSHIBCRVGVTDR-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.53
Rot. Bonds5

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

ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (PubChem CID 66797617) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
PubChem CID66797617
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC Nameethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2ccc(OC)cc2)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C19H23NO7/c1-4-25-18(22)26-16-15(13-5-7-14(23-2)8-6-13)17(21)27-19(16)9-11-20(24-3)12-10-19/h5-8H,4,9-12H2,1-3H3
InChIKeyVDSHIBCRVGVTDR-UHFFFAOYSA-N
XLogP2.53
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The IUPAC name of ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (CID 66797617) is ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.
What is the SMILES notation for ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The canonical SMILES for ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is CCOC(=O)OC1=C(c2ccc(OC)cc2)C(=O)OC12CCN(OC)CC2.
What is the InChIKey of ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The InChIKey is VDSHIBCRVGVTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO7/c1-4-25-18(22)26-16-15(13-5-7-14(23-2)8-6-13)17(21)27-19(16)9-11-20(24-3)12-10-19/h5-8H,4,9-12H2,1-3H3.
What are the key properties of ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate has a molecular weight of 377.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [8-methoxy-3-(4-methoxyphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is sourced from PubChem (CID 66797617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).