2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane

C18H27NO2 — CID 65117534

IUPAC2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCOc1cccc(C2CNCC3(CCC(C)(C)CC3)O2)c1
InChIInChI=1S/C18H27NO2/c1-17(2)7-9-18(10-8-17)13-19-12-16(21-18)14-5-4-6-15(11-14)20-3/h4-6,11,16,19H,7-10,12-13H2,1-3H3
InChIKeyHBAPAXJQCMOJMA-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.70
Rot. Bonds2

About 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane

2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65117534) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65117534
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
SMILESCOc1cccc(C2CNCC3(CCC(C)(C)CC3)O2)c1
InChIInChI=1S/C18H27NO2/c1-17(2)7-9-18(10-8-17)13-19-12-16(21-18)14-5-4-6-15(11-14)20-3/h4-6,11,16,19H,7-10,12-13H2,1-3H3
InChIKeyHBAPAXJQCMOJMA-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65213583
7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65211299
(5S)-5-(3-pyridazin-3-yloxyphenyl)-4-oxa-7-azaspiro[2.5]octane
CID 171653291
5-(3-methoxyphenyl)-1,3-oxazolidine
CID 82280696
2-(2-bromophenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117829
7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 65101837
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane
CID 65120443
2-ethyl-2-methyl-6-(3-propoxyphenyl)morpholine
CID 114497269
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
CID 84725231
2-(4-ethoxyphenyl)-9-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117527

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane (CID 65117534) is 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane is COc1cccc(C2CNCC3(CCC(C)(C)CC3)O2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is HBAPAXJQCMOJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2)7-9-18(10-8-17)13-19-12-16(21-18)14-5-4-6-15(11-14)20-3/h4-6,11,16,19H,7-10,12-13H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane?
2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 289.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65117534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).