3,20-diazadispiro[5.1.118.26]henicosan-21-one

C19H34N2O — CID 54390266

IUPAC3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESO=C1NC2(CCCCCCCCCCC2)CC12CCNCC2
InChIInChI=1S/C19H34N2O/c22-17-18(12-14-20-15-13-18)16-19(21-17)10-8-6-4-2-1-3-5-7-9-11-19/h20H,1-16H2,(H,21,22)
InChIKeyVGDGCAZNNYBUAR-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.92
Rot. Bonds

About 3,20-diazadispiro[5.1.118.26]henicosan-21-one

3,20-diazadispiro[5.1.118.26]henicosan-21-one (PubChem CID 54390266) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 3,20-diazadispiro[5.1.118.26]henicosan-21-one.

Molecular Properties

Compound Name3,20-diazadispiro[5.1.118.26]henicosan-21-one
PubChem CID54390266
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name3,20-diazadispiro[5.1.118.26]henicosan-21-one
SMILESO=C1NC2(CCCCCCCCCCC2)CC12CCNCC2
InChIInChI=1S/C19H34N2O/c22-17-18(12-14-20-15-13-18)16-19(21-17)10-8-6-4-2-1-3-5-7-9-11-19/h20H,1-16H2,(H,21,22)
InChIKeyVGDGCAZNNYBUAR-UHFFFAOYSA-N
XLogP3.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The IUPAC name of 3,20-diazadispiro[5.1.118.26]henicosan-21-one (CID 54390266) is 3,20-diazadispiro[5.1.118.26]henicosan-21-one.
What is the SMILES notation for 3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The canonical SMILES for 3,20-diazadispiro[5.1.118.26]henicosan-21-one is O=C1NC2(CCCCCCCCCCC2)CC12CCNCC2.
What is the InChIKey of 3,20-diazadispiro[5.1.118.26]henicosan-21-one?
The InChIKey is VGDGCAZNNYBUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c22-17-18(12-14-20-15-13-18)16-19(21-17)10-8-6-4-2-1-3-5-7-9-11-19/h20H,1-16H2,(H,21,22).
What are the key properties of 3,20-diazadispiro[5.1.118.26]henicosan-21-one?
3,20-diazadispiro[5.1.118.26]henicosan-21-one has a molecular weight of 306.49 g/mol, XLogP of 3.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,20-diazadispiro[5.1.118.26]henicosan-21-one is sourced from PubChem (CID 54390266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).