9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C20H24N2O2 — CID 118960441

IUPAC9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(Oc2ccccc2N2CCC3(CC2)CNCCO3)cc1
InChIInChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)24-19-9-5-4-8-18(19)22-13-10-20(11-14-22)16-21-12-15-23-20/h1-9,21H,10-16H2
InChIKeyVPFUOUPXNXAEMS-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.44
Rot. Bonds3

About 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane

9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118960441) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118960441
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(Oc2ccccc2N2CCC3(CC2)CNCCO3)cc1
InChIInChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)24-19-9-5-4-8-18(19)22-13-10-20(11-14-22)16-21-12-15-23-20/h1-9,21H,10-16H2
InChIKeyVPFUOUPXNXAEMS-UHFFFAOYSA-N
XLogP3.44
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118960441) is 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane is c1ccc(Oc2ccccc2N2CCC3(CC2)CNCCO3)cc1.
What is the InChIKey of 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is VPFUOUPXNXAEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)24-19-9-5-4-8-18(19)22-13-10-20(11-14-22)16-21-12-15-23-20/h1-9,21H,10-16H2.
What are the key properties of 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 324.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118960441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).