2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane

C18H27NO2 — CID 65103747

IUPAC2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCCCOc1ccc(C2CNCC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H27NO2/c1-2-12-20-16-8-6-15(7-9-16)17-13-19-14-18(21-17)10-4-3-5-11-18/h6-9,17,19H,2-5,10-14H2,1H3
InChIKeyXQRDQGPPETXJDC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds4

About 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane

2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65103747) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65103747
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
SMILESCCCOc1ccc(C2CNCC3(CCCCC3)O2)cc1
InChIInChI=1S/C18H27NO2/c1-2-12-20-16-8-6-15(7-9-16)17-13-19-14-18(21-17)10-4-3-5-11-18/h6-9,17,19H,2-5,10-14H2,1H3
InChIKeyXQRDQGPPETXJDC-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123458
7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65211299
2-(4-ethoxyphenyl)-9-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117527
2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65213583
2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123122
7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65104059
7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 65101837
2-(4-chlorophenyl)-9-ethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65120688
9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane
CID 65120443
2-ethyl-2-methyl-6-(3-propoxyphenyl)morpholine
CID 114497269
2,2-diethyl-6-(4-methoxyphenyl)morpholine
CID 65102002
2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103852

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane (CID 65103747) is 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane is CCCOc1ccc(C2CNCC3(CCCCC3)O2)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is XQRDQGPPETXJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-12-20-16-8-6-15(7-9-16)17-13-19-14-18(21-17)10-4-3-5-11-18/h6-9,17,19H,2-5,10-14H2,1H3.
What are the key properties of 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane?
2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 289.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65103747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).