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

C20H25NO7 — CID 66797716

IUPACethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2cc(C)ccc2OC)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C20H25NO7/c1-5-26-19(23)27-17-16(14-12-13(2)6-7-15(14)24-3)18(22)28-20(17)8-10-21(25-4)11-9-20/h6-7,12H,5,8-11H2,1-4H3
InChIKeyJGSUIXICGRCBMS-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.84
Rot. Bonds5

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

ethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (PubChem CID 66797716) has the molecular formula C20H25NO7 and a molecular weight of 391.42 g/mol. Its IUPAC name is ethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.

Molecular Properties

Compound Nameethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
PubChem CID66797716
Molecular FormulaC20H25NO7
Molecular Weight391.42 g/mol
Exact Mass391.16
IUPAC Nameethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
SMILESCCOC(=O)OC1=C(c2cc(C)ccc2OC)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C20H25NO7/c1-5-26-19(23)27-17-16(14-12-13(2)6-7-15(14)24-3)18(22)28-20(17)8-10-21(25-4)11-9-20/h6-7,12H,5,8-11H2,1-4H3
InChIKeyJGSUIXICGRCBMS-UHFFFAOYSA-N
XLogP2.84
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.84
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-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The IUPAC name of ethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate (CID 66797716) is ethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate.
What is the SMILES notation for ethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The canonical SMILES for ethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is CCOC(=O)OC1=C(c2cc(C)ccc2OC)C(=O)OC12CCN(OC)CC2.
What is the InChIKey of ethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
The InChIKey is JGSUIXICGRCBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO7/c1-5-26-19(23)27-17-16(14-12-13(2)6-7-15(14)24-3)18(22)28-20(17)8-10-21(25-4)11-9-20/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of ethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate?
ethyl [8-methoxy-3-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate has a molecular weight of 391.42 g/mol, XLogP of 2.84, 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-(2-methoxy-5-methylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate is sourced from PubChem (CID 66797716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).