3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one

C24H44N2O3 — CID 57108976

IUPAC3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESCC1(C)CC2(CC(C)(C)N1CCO)OC1(CCCCCCCCCCC1)NC2=O
InChIInChI=1S/C24H44N2O3/c1-21(2)18-23(19-22(3,4)26(21)16-17-27)20(28)25-24(29-23)14-12-10-8-6-5-7-9-11-13-15-24/h27H,5-19H2,1-4H3,(H,25,28)
InChIKeyQDKOYIDFSDULFX-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.52
Rot. Bonds2

About 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one

3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one (PubChem CID 57108976) has the molecular formula C24H44N2O3 and a molecular weight of 408.63 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
PubChem CID57108976
Molecular FormulaC24H44N2O3
Molecular Weight408.63 g/mol
Exact Mass408.34
IUPAC Name3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESCC1(C)CC2(CC(C)(C)N1CCO)OC1(CCCCCCCCCCC1)NC2=O
InChIInChI=1S/C24H44N2O3/c1-21(2)18-23(19-22(3,4)26(21)16-17-27)20(28)25-24(29-23)14-12-10-8-6-5-7-9-11-13-15-24/h27H,5-19H2,1-4H3,(H,25,28)
InChIKeyQDKOYIDFSDULFX-UHFFFAOYSA-N
XLogP4.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The IUPAC name of 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one (CID 57108976) is 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The canonical SMILES for 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one is CC1(C)CC2(CC(C)(C)N1CCO)OC1(CCCCCCCCCCC1)NC2=O.
What is the InChIKey of 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The InChIKey is QDKOYIDFSDULFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O3/c1-21(2)18-23(19-22(3,4)26(21)16-17-27)20(28)25-24(29-23)14-12-10-8-6-5-7-9-11-13-15-24/h27H,5-19H2,1-4H3,(H,25,28).
What are the key properties of 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one has a molecular weight of 408.63 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one is sourced from PubChem (CID 57108976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).