4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane

C21H34N2O — CID 129053830

IUPAC4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane
SMILESCCN1CC(C)(C)OC2(CCCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H34N2O/c1-4-22-17-20(2,3)24-21(18-22)12-8-14-23(16-13-21)15-11-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-18H2,1-3H3
InChIKeyFIQKVGYDSOXDQL-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.58
Rot. Bonds4

About 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane

4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane (PubChem CID 129053830) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane
PubChem CID129053830
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane
SMILESCCN1CC(C)(C)OC2(CCCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C21H34N2O/c1-4-22-17-20(2,3)24-21(18-22)12-8-14-23(16-13-21)15-11-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-18H2,1-3H3
InChIKeyFIQKVGYDSOXDQL-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

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Related Compounds

2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152
US10927128, Example 46
CID 135332725
4-Benzyl-2,2,6,6-tetramethylmorpholine
CID 12282999
US10421750, Example 11
CID 129053751
US10689398, Example 86
CID 129053806
US10689398, Example 16
CID 129053823
US10689398, Example 3
CID 129053856
US10689398, Example 84
CID 129053873
US10689398, Example 30
CID 129069859
US10689398, Example 82
CID 129069867
US10689398, Example 83
CID 129069922
US10689398, Example 85
CID 129070164

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane?
The IUPAC name of 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane (CID 129053830) is 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane is CCN1CC(C)(C)OC2(CCCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane?
The InChIKey is FIQKVGYDSOXDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-4-22-17-20(2,3)24-21(18-22)12-8-14-23(16-13-21)15-11-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-18H2,1-3H3.
What are the key properties of 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane?
4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane 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 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecane is sourced from PubChem (CID 129053830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).