2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C21H34N2O — CID 135374925

IUPAC2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CC(C)(C)OC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H34N2O/c1-18(2)23-16-20(3,4)24-21(17-23)11-14-22(15-12-21)13-10-19-8-6-5-7-9-19/h5-9,18H,10-17H2,1-4H3
InChIKeyZAZIQRKOJQJBFK-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.58
Rot. Bonds4

About 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 135374925) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID135374925
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CC(C)(C)OC2(CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H34N2O/c1-18(2)23-16-20(3,4)24-21(17-23)11-14-22(15-12-21)13-10-19-8-6-5-7-9-19/h5-9,18H,10-17H2,1-4H3
InChIKeyZAZIQRKOJQJBFK-UHFFFAOYSA-N
XLogP3.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
CID 24761181
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
2,2,4-Trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560993
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045
2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152
US10927128, Example 46
CID 135332725
Morpholine, 4-(1-methyl-3-phenylpropyl)-
CID 200844
4-Benzyl-2,2,6,6-tetramethylmorpholine
CID 12282999
2,4-Dimethyl-9-(2-phenylethyl)-3-oxa-9-aza-6-azoniaspiro[5.5]undecane chloride
CID 23643977
2,4-Dimethyl-9-(3-phenylpropyl)-3-oxa-9-aza-6-azoniaspiro[5.5]undecane chloride
CID 24758613
US10421750, Example 11
CID 129053751
US10689398, Example 16
CID 129053823

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 135374925) is 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)N1CC(C)(C)OC2(CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is ZAZIQRKOJQJBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-18(2)23-16-20(3,4)24-21(17-23)11-14-22(15-12-21)13-10-19-8-6-5-7-9-19/h5-9,18H,10-17H2,1-4H3.
What are the key properties of 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 330.52 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 135374925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).