7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane

C17H25NO2 — CID 65211299

IUPAC7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCCOc1cccc(C2CNCC3(CCCC3)O2)c1
InChIInChI=1S/C17H25NO2/c1-2-10-19-15-7-5-6-14(11-15)16-12-18-13-17(20-16)8-3-4-9-17/h5-7,11,16,18H,2-4,8-10,12-13H2,1H3
InChIKeyUKGMUOZCNUHNGP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.45
Rot. Bonds4

About 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane

7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 65211299) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID65211299
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCCOc1cccc(C2CNCC3(CCCC3)O2)c1
InChIInChI=1S/C17H25NO2/c1-2-10-19-15-7-5-6-14(11-15)16-12-18-13-17(20-16)8-3-4-9-17/h5-7,11,16,18H,2-4,8-10,12-13H2,1H3
InChIKeyUKGMUOZCNUHNGP-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.45
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
2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103747
2-ethyl-2-methyl-6-(3-propoxyphenyl)morpholine
CID 114497269
2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117534
2-(4-ethoxyphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123458
7-naphthalen-2-yl-6-oxa-9-azaspiro[4.5]decane
CID 65101837
7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65210932
7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65104059
9-ethyl-2-phenyl-1-oxa-4-azaspiro[5.5]undecane
CID 65120443
2-(4-ethoxyphenyl)-9-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117527
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328

Frequently Asked Questions

What is the IUPAC name of 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane (CID 65211299) is 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane is CCCOc1cccc(C2CNCC3(CCCC3)O2)c1.
What is the InChIKey of 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is UKGMUOZCNUHNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-10-19-15-7-5-6-14(11-15)16-12-18-13-17(20-16)8-3-4-9-17/h5-7,11,16,18H,2-4,8-10,12-13H2,1H3.
What are the key properties of 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane?
7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 275.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 65211299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).