5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane

C34H54N2O2 — CID 10649698

IUPAC5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane
SMILESCC1CCCCCCCN(Cc2ccccc2)CCCOCCCCOCCCN(Cc2ccccc2)C1
InChIInChI=1S/C34H54N2O2/c1-32-17-7-3-2-4-12-22-35(30-33-18-8-5-9-19-33)23-15-27-37-25-13-14-26-38-28-16-24-36(29-32)31-34-20-10-6-11-21-34/h5-6,8-11,18-21,32H,2-4,7,12-17,22-31H2,1H3
InChIKeyDAJFYSDBNDLFDE-UHFFFAOYSA-N
MW522.82 g/mol
LogP7.57
Rot. Bonds4

About 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane

5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane (PubChem CID 10649698) has the molecular formula C34H54N2O2 and a molecular weight of 522.82 g/mol. Its IUPAC name is 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane.

Molecular Properties

Compound Name5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane
PubChem CID10649698
Molecular FormulaC34H54N2O2
Molecular Weight522.82 g/mol
Exact Mass522.42
IUPAC Name5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane
SMILESCC1CCCCCCCN(Cc2ccccc2)CCCOCCCCOCCCN(Cc2ccccc2)C1
InChIInChI=1S/C34H54N2O2/c1-32-17-7-3-2-4-12-22-35(30-33-18-8-5-9-19-33)23-15-27-37-25-13-14-26-38-28-16-24-36(29-32)31-34-20-10-6-11-21-34/h5-6,8-11,18-21,32H,2-4,7,12-17,22-31H2,1H3
InChIKeyDAJFYSDBNDLFDE-UHFFFAOYSA-N
XLogP7.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.82
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane?
The IUPAC name of 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane (CID 10649698) is 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane.
What is the SMILES notation for 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane?
The canonical SMILES for 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane is CC1CCCCCCCN(Cc2ccccc2)CCCOCCCCOCCCN(Cc2ccccc2)C1.
What is the InChIKey of 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane?
The InChIKey is DAJFYSDBNDLFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54N2O2/c1-32-17-7-3-2-4-12-22-35(30-33-18-8-5-9-19-33)23-15-27-37-25-13-14-26-38-28-16-24-36(29-32)31-34-20-10-6-11-21-34/h5-6,8-11,18-21,32H,2-4,7,12-17,22-31H2,1H3.
What are the key properties of 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane?
5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane has a molecular weight of 522.82 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-dibenzyl-7-methyl-1,19-dioxa-5,15-diazacyclotricosane is sourced from PubChem (CID 10649698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).