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

C23H42N2O3 — CID 18716443

IUPAC3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESCON1C(C)(C)CC2(CC1(C)C)OC1(CCCCCCCCCCC1)NC2=O
InChIInChI=1S/C23H42N2O3/c1-20(2)17-22(18-21(3,4)25(20)27-5)19(26)24-23(28-22)15-13-11-9-7-6-8-10-12-14-16-23/h6-18H2,1-5H3,(H,24,26)
InChIKeyXEHFGPQDLFLCGA-UHFFFAOYSA-N
MW394.60 g/mol
LogP5.09
Rot. Bonds1

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

3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one (PubChem CID 18716443) has the molecular formula C23H42N2O3 and a molecular weight of 394.60 g/mol. Its IUPAC name is 3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one.

Molecular Properties

Compound Name3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
PubChem CID18716443
Molecular FormulaC23H42N2O3
Molecular Weight394.60 g/mol
Exact Mass394.32
IUPAC Name3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESCON1C(C)(C)CC2(CC1(C)C)OC1(CCCCCCCCCCC1)NC2=O
InChIInChI=1S/C23H42N2O3/c1-20(2)17-22(18-21(3,4)25(20)27-5)19(26)24-23(28-22)15-13-11-9-7-6-8-10-12-14-16-23/h6-18H2,1-5H3,(H,24,26)
InChIKeyXEHFGPQDLFLCGA-UHFFFAOYSA-N
XLogP5.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The IUPAC name of 3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one (CID 18716443) is 3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one.
What is the SMILES notation for 3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The canonical SMILES for 3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one is CON1C(C)(C)CC2(CC1(C)C)OC1(CCCCCCCCCCC1)NC2=O.
What is the InChIKey of 3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The InChIKey is XEHFGPQDLFLCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O3/c1-20(2)17-22(18-21(3,4)25(20)27-5)19(26)24-23(28-22)15-13-11-9-7-6-8-10-12-14-16-23/h6-18H2,1-5H3,(H,24,26).
What are the key properties of 3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one?
3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one has a molecular weight of 394.60 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one is sourced from PubChem (CID 18716443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).