14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone

C20H32N2O6 — CID 173171362

IUPAC14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone
SMILESO=C1CCCCC(=O)N2CCCC2C(=O)OCCCCOC(=O)CCCCN1
InChIInChI=1S/C20H32N2O6/c23-17-9-1-2-10-18(24)22-13-7-8-16(22)20(26)28-15-6-5-14-27-19(25)11-3-4-12-21-17/h16H,1-15H2,(H,21,23)
InChIKeyYPCNWXIYVIXZTK-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.70
Rot. Bonds

About 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone

14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone (PubChem CID 173171362) has the molecular formula C20H32N2O6 and a molecular weight of 396.48 g/mol. Its IUPAC name is 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone.

Molecular Properties

Compound Name14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone
PubChem CID173171362
Molecular FormulaC20H32N2O6
Molecular Weight396.48 g/mol
Exact Mass396.23
IUPAC Name14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone
SMILESO=C1CCCCC(=O)N2CCCC2C(=O)OCCCCOC(=O)CCCCN1
InChIInChI=1S/C20H32N2O6/c23-17-9-1-2-10-18(24)22-13-7-8-16(22)20(26)28-15-6-5-14-27-19(25)11-3-4-12-21-17/h16H,1-15H2,(H,21,23)
InChIKeyYPCNWXIYVIXZTK-UHFFFAOYSA-N
XLogP1.70
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone?
The IUPAC name of 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone (CID 173171362) is 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone.
What is the SMILES notation for 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone?
The canonical SMILES for 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone is O=C1CCCCC(=O)N2CCCC2C(=O)OCCCCOC(=O)CCCCN1.
What is the InChIKey of 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone?
The InChIKey is YPCNWXIYVIXZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O6/c23-17-9-1-2-10-18(24)22-13-7-8-16(22)20(26)28-15-6-5-14-27-19(25)11-3-4-12-21-17/h16H,1-15H2,(H,21,23).
What are the key properties of 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone?
14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone has a molecular weight of 396.48 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14,19-dioxa-1,8-diazabicyclo[19.3.0]tetracosane-2,7,13,20-tetrone is sourced from PubChem (CID 173171362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).