3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

C21H25NO2 — CID 68658956

IUPAC3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1CNCCC12OCC(C)(c1cccc(-c3ccccc3)c1)O2
InChIInChI=1S/C21H25NO2/c1-16-14-22-12-11-21(16)23-15-20(2,24-21)19-10-6-9-18(13-19)17-7-4-3-5-8-17/h3-10,13,16,22H,11-12,14-15H2,1-2H3
InChIKeyRDASPGUHNIIJDV-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.94
Rot. Bonds2

About 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane

3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 68658956) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID68658956
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1CNCCC12OCC(C)(c1cccc(-c3ccccc3)c1)O2
InChIInChI=1S/C21H25NO2/c1-16-14-22-12-11-21(16)23-15-20(2,24-21)19-10-6-9-18(13-19)17-7-4-3-5-8-17/h3-10,13,16,22H,11-12,14-15H2,1-2H3
InChIKeyRDASPGUHNIIJDV-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 68658956) is 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is CC1CNCCC12OCC(C)(c1cccc(-c3ccccc3)c1)O2.
What is the InChIKey of 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is RDASPGUHNIIJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-14-22-12-11-21(16)23-15-20(2,24-21)19-10-6-9-18(13-19)17-7-4-3-5-8-17/h3-10,13,16,22H,11-12,14-15H2,1-2H3.
What are the key properties of 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 323.44 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 68658956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).