4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one

C22H40N2O2 — CID 18757088

IUPAC4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESCC1(C)NCCC2(OC3(CCCCCCCCCCC3)NC2=O)C1(C)C
InChIInChI=1S/C22H40N2O2/c1-19(2)20(3,4)23-17-16-22(19)18(25)24-21(26-22)14-12-10-8-6-5-7-9-11-13-15-21/h23H,5-17H2,1-4H3,(H,24,25)
InChIKeyOOPKJZYFTOEZAR-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.67
Rot. Bonds

About 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one

4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one (PubChem CID 18757088) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
PubChem CID18757088
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESCC1(C)NCCC2(OC3(CCCCCCCCCCC3)NC2=O)C1(C)C
InChIInChI=1S/C22H40N2O2/c1-19(2)20(3,4)23-17-16-22(19)18(25)24-21(26-22)14-12-10-8-6-5-7-9-11-13-15-21/h23H,5-17H2,1-4H3,(H,24,25)
InChIKeyOOPKJZYFTOEZAR-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The IUPAC name of 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one (CID 18757088) is 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one.
What is the SMILES notation for 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The canonical SMILES for 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one is CC1(C)NCCC2(OC3(CCCCCCCCCCC3)NC2=O)C1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The InChIKey is OOPKJZYFTOEZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-19(2)20(3,4)23-17-16-22(19)18(25)24-21(26-22)14-12-10-8-6-5-7-9-11-13-15-21/h23H,5-17H2,1-4H3,(H,24,25).
What are the key properties of 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one has a molecular weight of 364.57 g/mol, XLogP of 4.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one is sourced from PubChem (CID 18757088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).