2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride

C22H41ClN2O2 — CID 15789935

IUPAC2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride
SMILESCC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O.Cl
InChIInChI=1S/C22H40N2O2.ClH/c1-19(2)16-21(17-20(3,4)24-19)18(25)23-22(26-21)14-12-10-8-6-5-7-9-11-13-15-22;/h24H,5-17H2,1-4H3,(H,23,25);1H
InChIKeyWDYILXILZIOIPZ-UHFFFAOYSA-N
MW401.04 g/mol
LogP5.24
Rot. Bonds

About 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride

2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride (PubChem CID 15789935) has the molecular formula C22H41ClN2O2 and a molecular weight of 401.04 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride
PubChem CID15789935
Molecular FormulaC22H41ClN2O2
Molecular Weight401.04 g/mol
Exact Mass400.29
IUPAC Name2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride
SMILESCC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O.Cl
InChIInChI=1S/C22H40N2O2.ClH/c1-19(2)16-21(17-20(3,4)24-19)18(25)23-22(26-21)14-12-10-8-6-5-7-9-11-13-15-22;/h24H,5-17H2,1-4H3,(H,23,25);1H
InChIKeyWDYILXILZIOIPZ-UHFFFAOYSA-N
XLogP5.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.04
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride?
The IUPAC name of 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride (CID 15789935) is 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride.
What is the SMILES notation for 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride?
The canonical SMILES for 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride is CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O.Cl.
What is the InChIKey of 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride?
The InChIKey is WDYILXILZIOIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2.ClH/c1-19(2)16-21(17-20(3,4)24-19)18(25)23-22(26-21)14-12-10-8-6-5-7-9-11-13-15-22;/h24H,5-17H2,1-4H3,(H,23,25);1H.
What are the key properties of 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride?
2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride has a molecular weight of 401.04 g/mol, XLogP of 5.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one;hydrochloride is sourced from PubChem (CID 15789935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).