9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C21H26N2O2 — CID 118960535

IUPAC9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1ccc(Oc2ccccc2)cc1N1CCC2(CC1)CNCCO2
InChIInChI=1S/C21H26N2O2/c1-17-7-8-19(25-18-5-3-2-4-6-18)15-20(17)23-12-9-21(10-13-23)16-22-11-14-24-21/h2-8,15,22H,9-14,16H2,1H3
InChIKeyYHGHIXSQXUMAJE-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.75
Rot. Bonds3

About 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane

9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118960535) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118960535
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1ccc(Oc2ccccc2)cc1N1CCC2(CC1)CNCCO2
InChIInChI=1S/C21H26N2O2/c1-17-7-8-19(25-18-5-3-2-4-6-18)15-20(17)23-12-9-21(10-13-23)16-22-11-14-24-21/h2-8,15,22H,9-14,16H2,1H3
InChIKeyYHGHIXSQXUMAJE-UHFFFAOYSA-N
XLogP3.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
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1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
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7-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one
CID 10692886
US9205085, Msx-205
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1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263304
3-[2-Methyl-3-(piperazin-1-yl)phenoxymethyl]benzonitrile
CID 25263306
1-{3-[(2-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263307
1-{3-[(3,4-Difluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263308
1-{2-methyl-3-[(1S)-1-phenylethoxy]phenyl}piperazine
CID 25263311

Frequently Asked Questions

What is the IUPAC name of 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118960535) is 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1ccc(Oc2ccccc2)cc1N1CCC2(CC1)CNCCO2.
What is the InChIKey of 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is YHGHIXSQXUMAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-7-8-19(25-18-5-3-2-4-6-18)15-20(17)23-12-9-21(10-13-23)16-22-11-14-24-21/h2-8,15,22H,9-14,16H2,1H3.
What are the key properties of 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 338.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-5-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118960535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).