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

C25H32N2O — CID 129053855

IUPAC13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESc1ccc(CCN2CCCC3(CC2)CN(c2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C25H32N2O/c1-3-8-22(9-4-1)12-18-26-17-7-13-24(16-19-26)20-27(21-25(28-24)14-15-25)23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
InChIKeyCQDJVNJOMNGSPB-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.52
Rot. Bonds4

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

13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (PubChem CID 129053855) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.

Molecular Properties

Compound Name13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
PubChem CID129053855
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESc1ccc(CCN2CCCC3(CC2)CN(c2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C25H32N2O/c1-3-8-22(9-4-1)12-18-26-17-7-13-24(16-19-26)20-27(21-25(28-24)14-15-25)23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
InChIKeyCQDJVNJOMNGSPB-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The IUPAC name of 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (CID 129053855) is 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.
What is the SMILES notation for 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The canonical SMILES for 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is c1ccc(CCN2CCCC3(CC2)CN(c2ccccc2)CC2(CC2)O3)cc1.
What is the InChIKey of 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The InChIKey is CQDJVNJOMNGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-8-22(9-4-1)12-18-26-17-7-13-24(16-19-26)20-27(21-25(28-24)14-15-25)23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2.
What are the key properties of 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane has a molecular weight of 376.54 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is sourced from PubChem (CID 129053855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).