13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

C23H36N2O — CID 129053873

IUPAC13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESCC(C)CCN1CCCC2(CC1)CN(Cc1ccccc1)CC1(CC1)O2
InChIInChI=1S/C23H36N2O/c1-20(2)9-15-24-14-6-10-22(13-16-24)18-25(19-23(26-22)11-12-23)17-21-7-4-3-5-8-21/h3-5,7-8,20H,6,9-19H2,1-2H3
InChIKeyUGWDLTBSAXCOKY-UHFFFAOYSA-N
MW356.55 g/mol
LogP4.32
Rot. Bonds5

About 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (PubChem CID 129053873) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.

Molecular Properties

Compound Name13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
PubChem CID129053873
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESCC(C)CCN1CCCC2(CC1)CN(Cc1ccccc1)CC1(CC1)O2
InChIInChI=1S/C23H36N2O/c1-20(2)9-15-24-14-6-10-22(13-16-24)18-25(19-23(26-22)11-12-23)17-21-7-4-3-5-8-21/h3-5,7-8,20H,6,9-19H2,1-2H3
InChIKeyUGWDLTBSAXCOKY-UHFFFAOYSA-N
XLogP4.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12282999
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CID 129053742
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CID 129053751
2-(1-Benzylpiperidin-4-yl)-4-ethylmorpholine
CID 129053792
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CID 129053801
US10689398, Example 86
CID 129053806
US10689398, Example 16
CID 129053823
US10689398, Example 87
CID 129053830
US10689398, Example 12
CID 129053852
US10689398, Example 82
CID 129069867
US10689398, Example 78
CID 129069868
US10689398, Example 79
CID 129069869

Frequently Asked Questions

What is the IUPAC name of 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The IUPAC name of 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (CID 129053873) is 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.
What is the SMILES notation for 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The canonical SMILES for 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is CC(C)CCN1CCCC2(CC1)CN(Cc1ccccc1)CC1(CC1)O2.
What is the InChIKey of 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The InChIKey is UGWDLTBSAXCOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O/c1-20(2)9-15-24-14-6-10-22(13-16-24)18-25(19-23(26-22)11-12-23)17-21-7-4-3-5-8-21/h3-5,7-8,20H,6,9-19H2,1-2H3.
What are the key properties of 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane has a molecular weight of 356.55 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-benzyl-8-(3-methylbutyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is sourced from PubChem (CID 129053873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).