7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

C26H38N2O4 — CID 3308751

IUPAC7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESc1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1
InChIInChI=1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2
InChIKeyWAHZGOBRKWVALN-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.07
Rot. Bonds4

About 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (PubChem CID 3308751) has the molecular formula C26H38N2O4 and a molecular weight of 442.60 g/mol. Its IUPAC name is 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.

Molecular Properties

Compound Name7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
PubChem CID3308751
Molecular FormulaC26H38N2O4
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC Name7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESc1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1
InChIInChI=1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2
InChIKeyWAHZGOBRKWVALN-UHFFFAOYSA-N
XLogP3.07
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The IUPAC name of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (CID 3308751) is 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.
What is the SMILES notation for 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The canonical SMILES for 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is c1ccc(CN2CCOCCOCCN(Cc3ccccc3)CCOCCOCC2)cc1.
What is the InChIKey of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The InChIKey is WAHZGOBRKWVALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4/c1-3-7-25(8-4-1)23-27-11-15-29-19-21-31-17-13-28(24-26-9-5-2-6-10-26)14-18-32-22-20-30-16-12-27/h1-10H,11-24H2.
What are the key properties of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane has a molecular weight of 442.60 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is sourced from PubChem (CID 3308751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).