7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane

C23H46N4O3 — CID 177089843

IUPAC7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane
SMILESCOC1CN2CCCOCCCN3CCCN(CCCN(CCC2)C1)CC(OC)C3
InChIInChI=1S/C23H46N4O3/c1-28-22-18-24-8-3-9-25-11-5-13-27(21-23(19-25)29-2)15-7-17-30-16-6-14-26(20-22)12-4-10-24/h22-23H,3-21H2,1-2H3
InChIKeyOJSDVOAXCQUIBV-UHFFFAOYSA-N
MW426.65 g/mol
LogP1.23
Rot. Bonds2

About 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane

7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane (PubChem CID 177089843) has the molecular formula C23H46N4O3 and a molecular weight of 426.65 g/mol. Its IUPAC name is 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane.

Molecular Properties

Compound Name7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane
PubChem CID177089843
Molecular FormulaC23H46N4O3
Molecular Weight426.65 g/mol
Exact Mass426.36
IUPAC Name7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane
SMILESCOC1CN2CCCOCCCN3CCCN(CCCN(CCC2)C1)CC(OC)C3
InChIInChI=1S/C23H46N4O3/c1-28-22-18-24-8-3-9-25-11-5-13-27(21-23(19-25)29-2)15-7-17-30-16-6-14-26(20-22)12-4-10-24/h22-23H,3-21H2,1-2H3
InChIKeyOJSDVOAXCQUIBV-UHFFFAOYSA-N
XLogP1.23
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane?
The IUPAC name of 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane (CID 177089843) is 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane.
What is the SMILES notation for 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane?
The canonical SMILES for 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane is COC1CN2CCCOCCCN3CCCN(CCCN(CCC2)C1)CC(OC)C3.
What is the InChIKey of 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane?
The InChIKey is OJSDVOAXCQUIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O3/c1-28-22-18-24-8-3-9-25-11-5-13-27(21-23(19-25)29-2)15-7-17-30-16-6-14-26(20-22)12-4-10-24/h22-23H,3-21H2,1-2H3.
What are the key properties of 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane?
7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane has a molecular weight of 426.65 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-dimethoxy-13-oxa-1,5,9,17-tetrazatricyclo[15.3.3.35,9]hexacosane is sourced from PubChem (CID 177089843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).