1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone

C15H24N2O6 — CID 550827

IUPAC1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone
SMILESO=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCCCN1
InChIInChI=1S/C15H24N2O6/c18-12-4-6-14(20)22-10-3-11-23-15(21)7-5-13(19)17-9-2-1-8-16-12/h1-11H2,(H,16,18)(H,17,19)
InChIKeyNRNGVKYPCOGTCA-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.05
Rot. Bonds

About 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone

1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone (PubChem CID 550827) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone.

Molecular Properties

Compound Name1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone
PubChem CID550827
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Name1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone
SMILESO=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCCCN1
InChIInChI=1S/C15H24N2O6/c18-12-4-6-14(20)22-10-3-11-23-15(21)7-5-13(19)17-9-2-1-8-16-12/h1-11H2,(H,16,18)(H,17,19)
InChIKeyNRNGVKYPCOGTCA-UHFFFAOYSA-N
XLogP0.05
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone?
The IUPAC name of 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone (CID 550827) is 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone.
What is the SMILES notation for 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone?
The canonical SMILES for 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone is O=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCCCN1.
What is the InChIKey of 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone?
The InChIKey is NRNGVKYPCOGTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6/c18-12-4-6-14(20)22-10-3-11-23-15(21)7-5-13(19)17-9-2-1-8-16-12/h1-11H2,(H,16,18)(H,17,19).
What are the key properties of 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone?
1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone has a molecular weight of 328.37 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxa-10,15-diazacyclononadecane-6,9,16,19-tetrone is sourced from PubChem (CID 550827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).