5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane

C19H22N2O2 — CID 14874966

IUPAC5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
SMILESc1ccc(C2COCN3CN2COCC3c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-7-16(8-4-1)18-11-22-15-21-13-20(18)14-23-12-19(21)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyWPFLPWMXKDEKIL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.01
Rot. Bonds2

About 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane

5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane (PubChem CID 14874966) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane.

Molecular Properties

Compound Name5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
PubChem CID14874966
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
SMILESc1ccc(C2COCN3CN2COCC3c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-7-16(8-4-1)18-11-22-15-21-13-20(18)14-23-12-19(21)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyWPFLPWMXKDEKIL-UHFFFAOYSA-N
XLogP3.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
The IUPAC name of 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane (CID 14874966) is 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane.
What is the SMILES notation for 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
The canonical SMILES for 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane is c1ccc(C2COCN3CN2COCC3c2ccccc2)cc1.
What is the InChIKey of 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
The InChIKey is WPFLPWMXKDEKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-7-16(8-4-1)18-11-22-15-21-13-20(18)14-23-12-19(21)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2.
What are the key properties of 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane has a molecular weight of 310.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane is sourced from PubChem (CID 14874966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).