1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone

C15H24N2O7 — CID 580968

IUPAC1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone
SMILESO=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCOCCN1
InChIInChI=1S/C15H24N2O7/c18-12-2-4-14(20)23-8-1-9-24-15(21)5-3-13(19)17-7-11-22-10-6-16-12/h1-11H2,(H,16,18)(H,17,19)
InChIKeyMUJAQADFBQTWFF-UHFFFAOYSA-N
MW344.36 g/mol
LogP-0.71
Rot. Bonds

About 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone

1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone (PubChem CID 580968) has the molecular formula C15H24N2O7 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone.

Molecular Properties

Compound Name1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone
PubChem CID580968
Molecular FormulaC15H24N2O7
Molecular Weight344.36 g/mol
Exact Mass344.16
IUPAC Name1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone
SMILESO=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCOCCN1
InChIInChI=1S/C15H24N2O7/c18-12-2-4-14(20)23-8-1-9-24-15(21)5-3-13(19)17-7-11-22-10-6-16-12/h1-11H2,(H,16,18)(H,17,19)
InChIKeyMUJAQADFBQTWFF-UHFFFAOYSA-N
XLogP-0.71
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone?
The IUPAC name of 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone (CID 580968) is 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone.
What is the SMILES notation for 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone?
The canonical SMILES for 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone is O=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCOCCN1.
What is the InChIKey of 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone?
The InChIKey is MUJAQADFBQTWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O7/c18-12-2-4-14(20)23-8-1-9-24-15(21)5-3-13(19)17-7-11-22-10-6-16-12/h1-11H2,(H,16,18)(H,17,19).
What are the key properties of 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone?
1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone has a molecular weight of 344.36 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9,13-trioxa-4,18-diazacycloicosane-5,8,14,17-tetrone is sourced from PubChem (CID 580968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).