2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane

C17H24ClNO — CID 65120688

IUPAC2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1CCC2(CC1)CNCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C17H24ClNO/c1-2-13-7-9-17(10-8-13)12-19-11-16(20-17)14-3-5-15(18)6-4-14/h3-6,13,16,19H,2,7-12H2,1H3
InChIKeyJIFAULWOEYZNPP-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.34
Rot. Bonds2

About 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane

2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65120688) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65120688
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCCC1CCC2(CC1)CNCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C17H24ClNO/c1-2-13-7-9-17(10-8-13)12-19-11-16(20-17)14-3-5-15(18)6-4-14/h3-6,13,16,19H,2,7-12H2,1H3
InChIKeyJIFAULWOEYZNPP-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane
CID 65120443
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-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123122
2-(4-ethoxyphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123458
7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65104059
7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65210932
2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103747
9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 65117626
6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine
CID 65102383
7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 65101837

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane (CID 65120688) is 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane is CCC1CCC2(CC1)CNCC(c1ccc(Cl)cc1)O2.
What is the InChIKey of 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is JIFAULWOEYZNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-2-13-7-9-17(10-8-13)12-19-11-16(20-17)14-3-5-15(18)6-4-14/h3-6,13,16,19H,2,7-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane?
2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 293.84 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65120688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).