8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene

C15H23NO4 — CID 575072

IUPAC8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene
SMILESCN1CCOCCOc2ccccc2OCCOCC1
InChIInChI=1S/C15H23NO4/c1-16-6-8-17-10-12-19-14-4-2-3-5-15(14)20-13-11-18-9-7-16/h2-5H,6-13H2,1H3
InChIKeyKWGIEMFOSHVZCN-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.42
Rot. Bonds

About 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene

8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene (PubChem CID 575072) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene.

Molecular Properties

Compound Name8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene
PubChem CID575072
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene
SMILESCN1CCOCCOc2ccccc2OCCOCC1
InChIInChI=1S/C15H23NO4/c1-16-6-8-17-10-12-19-14-4-2-3-5-15(14)20-13-11-18-9-7-16/h2-5H,6-13H2,1H3
InChIKeyKWGIEMFOSHVZCN-UHFFFAOYSA-N
XLogP1.42
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene?
The IUPAC name of 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene (CID 575072) is 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene.
What is the SMILES notation for 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene?
The canonical SMILES for 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene is CN1CCOCCOc2ccccc2OCCOCC1.
What is the InChIKey of 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene?
The InChIKey is KWGIEMFOSHVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-16-6-8-17-10-12-19-14-4-2-3-5-15(14)20-13-11-18-9-7-16/h2-5H,6-13H2,1H3.
What are the key properties of 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene?
8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene has a molecular weight of 281.35 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene is sourced from PubChem (CID 575072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).