8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

C25H32N2O — CID 129069867

IUPAC8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESc1ccc(CN2CCCC3(CC2)CN(Cc2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C25H32N2O/c1-3-8-22(9-4-1)18-26-16-7-12-24(15-17-26)20-27(21-25(28-24)13-14-25)19-23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
InChIKeyILSLOJDPFGOTPQ-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.48
Rot. Bonds4

About 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (PubChem CID 129069867) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.

Molecular Properties

Compound Name8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
PubChem CID129069867
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESc1ccc(CN2CCCC3(CC2)CN(Cc2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C25H32N2O/c1-3-8-22(9-4-1)18-26-16-7-12-24(15-17-26)20-27(21-25(28-24)13-14-25)19-23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
InChIKeyILSLOJDPFGOTPQ-UHFFFAOYSA-N
XLogP4.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10421750, Example 14
CID 129053742
US10689398, Example 86
CID 129053806
US10689398, Example 16
CID 129053823
US10689398, Example 87
CID 129053830
US10689398, Example 22
CID 129053855
US10689398, Example 21
CID 129053870
US10689398, Example 84
CID 129053873
US10689398, Example 78
CID 129069868
US10689398, Example 79
CID 129069869
US10689398, Example 80
CID 129069870
US10689398, Example 81
CID 129069871
US10689398, Example 83
CID 129069922

Frequently Asked Questions

What is the IUPAC name of 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The IUPAC name of 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (CID 129069867) is 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.
What is the SMILES notation for 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The canonical SMILES for 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is c1ccc(CN2CCCC3(CC2)CN(Cc2ccccc2)CC2(CC2)O3)cc1.
What is the InChIKey of 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The InChIKey is ILSLOJDPFGOTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-8-22(9-4-1)18-26-16-7-12-24(15-17-26)20-27(21-25(28-24)13-14-25)19-23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2.
What are the key properties of 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane has a molecular weight of 376.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13-dibenzyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is sourced from PubChem (CID 129069867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).