3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane

C21H25NO2 — CID 134071068

IUPAC3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESc1ccc(CCN2CCC3(CC(Oc4ccccc4)CO3)C2)cc1
InChIInChI=1S/C21H25NO2/c1-3-7-18(8-4-1)11-13-22-14-12-21(17-22)15-20(16-23-21)24-19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyIARPWRBTJHUSBI-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.54
Rot. Bonds5

About 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane

3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 134071068) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID134071068
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESc1ccc(CCN2CCC3(CC(Oc4ccccc4)CO3)C2)cc1
InChIInChI=1S/C21H25NO2/c1-3-7-18(8-4-1)11-13-22-14-12-21(17-22)15-20(16-23-21)24-19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChIKeyIARPWRBTJHUSBI-UHFFFAOYSA-N
XLogP3.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-methoxyethyl)-3-phenoxy-1-oxa-9-azaspiro[4.5]decane
CID 134071298
N-methyl-2-[[7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071038
(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488488
(3R)-8-[(4-fluorophenyl)methyl]-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488457
(3S,5S)-3-phenoxy-7-(thiadiazol-4-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97394368
7-[(2-methoxy-3-pyridinyl)methyl]-3-phenoxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071071
8-(2-phenylethyl)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131643166
(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97395102
(3S,5S)-7-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 171695613
3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972
8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155856222
(3R,5S)-7-(furan-2-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394419

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane (CID 134071068) is 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane is c1ccc(CCN2CCC3(CC(Oc4ccccc4)CO3)C2)cc1.
What is the InChIKey of 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is IARPWRBTJHUSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-7-18(8-4-1)11-13-22-14-12-21(17-22)15-20(16-23-21)24-19-9-5-2-6-10-19/h1-10,20H,11-17H2.
What are the key properties of 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane?
3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 323.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 134071068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).