13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

C21H32N2O — CID 129053823

IUPAC13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESCCN1CC2(CCCN(CCc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C21H32N2O/c1-2-22-17-20(24-21(18-22)11-12-21)10-6-14-23(16-13-20)15-9-19-7-4-3-5-8-19/h3-5,7-8H,2,6,9-18H2,1H3
InChIKeyQPCNRSSQYRKUAB-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.34
Rot. Bonds4

About 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane

13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (PubChem CID 129053823) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.

Molecular Properties

Compound Name13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
PubChem CID129053823
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane
SMILESCCN1CC2(CCCN(CCc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C21H32N2O/c1-2-22-17-20(24-21(18-22)11-12-21)10-6-14-23(16-13-20)15-9-19-7-4-3-5-8-19/h3-5,7-8H,2,6,9-18H2,1H3
InChIKeyQPCNRSSQYRKUAB-UHFFFAOYSA-N
XLogP3.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10927128, Example 46
CID 135332725
US10421750, Example 11
CID 129053751
US10689398, Example 86
CID 129053806
US10689398, Example 87
CID 129053830
US10689398, Example 3
CID 129053856
US10689398, Example 84
CID 129053873
US10689398, Example 30
CID 129069859
US10689398, Example 82
CID 129069867
US10689398, Example 80
CID 129069870
US10689398, Example 81
CID 129069871
US10689398, Example 83
CID 129069922
US10689398, Example 85
CID 129070164

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The IUPAC name of 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane (CID 129053823) is 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane.
What is the SMILES notation for 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The canonical SMILES for 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is CCN1CC2(CCCN(CCc3ccccc3)CC2)OC2(CC2)C1.
What is the InChIKey of 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
The InChIKey is QPCNRSSQYRKUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-22-17-20(24-21(18-22)11-12-21)10-6-14-23(16-13-20)15-9-19-7-4-3-5-8-19/h3-5,7-8H,2,6,9-18H2,1H3.
What are the key properties of 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane?
13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane has a molecular weight of 328.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-8-(2-phenylethyl)-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecane is sourced from PubChem (CID 129053823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).