16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene

C15H25N3O3 — CID 10803831

IUPAC16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
SMILESCCOc1cc2nc(c1)CNCCOCCOCCNC2
InChIInChI=1S/C15H25N3O3/c1-2-21-15-9-13-11-16-3-5-19-7-8-20-6-4-17-12-14(10-15)18-13/h9-10,16-17H,2-8,11-12H2,1H3
InChIKeySGGJOWZUPKDTOT-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.71
Rot. Bonds2

About 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene

16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene (PubChem CID 10803831) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene.

Molecular Properties

Compound Name16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
PubChem CID10803831
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
SMILESCCOc1cc2nc(c1)CNCCOCCOCCNC2
InChIInChI=1S/C15H25N3O3/c1-2-21-15-9-13-11-16-3-5-19-7-8-20-6-4-17-12-14(10-15)18-13/h9-10,16-17H,2-8,11-12H2,1H3
InChIKeySGGJOWZUPKDTOT-UHFFFAOYSA-N
XLogP0.71
TPSA64.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene?
The IUPAC name of 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene (CID 10803831) is 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene.
What is the SMILES notation for 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene?
The canonical SMILES for 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene is CCOc1cc2nc(c1)CNCCOCCOCCNC2.
What is the InChIKey of 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene?
The InChIKey is SGGJOWZUPKDTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-21-15-9-13-11-16-3-5-19-7-8-20-6-4-17-12-14(10-15)18-13/h9-10,16-17H,2-8,11-12H2,1H3.
What are the key properties of 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene?
16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene has a molecular weight of 295.38 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-ethoxy-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene is sourced from PubChem (CID 10803831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).