9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane

C17H25NO — CID 65120443

IUPAC9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1CCC2(CC1)CNCC(c1ccccc1)O2
InChIInChI=1S/C17H25NO/c1-2-14-8-10-17(11-9-14)13-18-12-16(19-17)15-6-4-3-5-7-15/h3-7,14,16,18H,2,8-13H2,1H3
InChIKeyWCVRLYBWSIGLMK-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds2

About 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane

9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65120443) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65120443
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1CCC2(CC1)CNCC(c1ccccc1)O2
InChIInChI=1S/C17H25NO/c1-2-14-8-10-17(11-9-14)13-18-12-16(19-17)15-6-4-3-5-7-15/h3-7,14,16,18H,2,8-13H2,1H3
InChIKeyWCVRLYBWSIGLMK-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65120688
2-(2,6-difluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65121041
2-(5-bromo-2-fluorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
CID 82956979
2-(4-ethoxyphenyl)-9-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117527
2-(4-ethoxyphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123458
2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65213583
7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65104059
7-(2-ethylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65210933
2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117534
9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 65117626
7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 65101837
2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123122

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane (CID 65120443) is 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane is CCC1CCC2(CC1)CNCC(c1ccccc1)O2.
What is the InChIKey of 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is WCVRLYBWSIGLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-14-8-10-17(11-9-14)13-18-12-16(19-17)15-6-4-3-5-7-15/h3-7,14,16,18H,2,8-13H2,1H3.
What are the key properties of 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane?
9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 259.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65120443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).