13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

C26H34N2O — CID 129069922

IUPAC13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESc1ccc(CCN2CCCC3(CC2)CN(Cc2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C26H34N2O/c1-3-8-23(9-4-1)12-18-27-17-7-13-25(16-19-27)21-28(22-26(29-25)14-15-26)20-24-10-5-2-6-11-24/h1-6,8-11H,7,12-22H2
InChIKeyBTUSRHUYPSJRTQ-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.52
Rot. Bonds5

About 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (PubChem CID 129069922) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.

Molecular Properties

Compound Name13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
PubChem CID129069922
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESc1ccc(CCN2CCCC3(CC2)CN(Cc2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C26H34N2O/c1-3-8-23(9-4-1)12-18-27-17-7-13-25(16-19-27)21-28(22-26(29-25)14-15-26)20-24-10-5-2-6-11-24/h1-6,8-11H,7,12-22H2
InChIKeyBTUSRHUYPSJRTQ-UHFFFAOYSA-N
XLogP4.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The IUPAC name of 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (CID 129069922) is 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.
What is the SMILES notation for 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The canonical SMILES for 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is c1ccc(CCN2CCCC3(CC2)CN(Cc2ccccc2)CC2(CC2)O3)cc1.
What is the InChIKey of 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The InChIKey is BTUSRHUYPSJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-3-8-23(9-4-1)12-18-27-17-7-13-25(16-19-27)21-28(22-26(29-25)14-15-26)20-24-10-5-2-6-11-24/h1-6,8-11H,7,12-22H2.
What are the key properties of 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane has a molecular weight of 390.57 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-benzyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is sourced from PubChem (CID 129069922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).