1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone

C17H28N2O6 — CID 543696

IUPAC1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone
SMILESO=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCCCCCN1
InChIInChI=1S/C17H28N2O6/c20-14-6-8-16(22)24-12-5-13-25-17(23)9-7-15(21)19-11-4-2-1-3-10-18-14/h1-13H2,(H,18,20)(H,19,21)
InChIKeyMSNQLQWRQDVPIF-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.83
Rot. Bonds

About 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone

1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone (PubChem CID 543696) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone.

Molecular Properties

Compound Name1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone
PubChem CID543696
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Name1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone
SMILESO=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCCCCCN1
InChIInChI=1S/C17H28N2O6/c20-14-6-8-16(22)24-12-5-13-25-17(23)9-7-15(21)19-11-4-2-1-3-10-18-14/h1-13H2,(H,18,20)(H,19,21)
InChIKeyMSNQLQWRQDVPIF-UHFFFAOYSA-N
XLogP0.83
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone?
The IUPAC name of 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone (CID 543696) is 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone.
What is the SMILES notation for 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone?
The canonical SMILES for 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone is O=C1CCC(=O)OCCCOC(=O)CCC(=O)NCCCCCCN1.
What is the InChIKey of 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone?
The InChIKey is MSNQLQWRQDVPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c20-14-6-8-16(22)24-12-5-13-25-17(23)9-7-15(21)19-11-4-2-1-3-10-18-14/h1-13H2,(H,18,20)(H,19,21).
What are the key properties of 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone?
1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone has a molecular weight of 356.42 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxa-10,17-diazacyclohenicosane-6,9,18,21-tetrone is sourced from PubChem (CID 543696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).