(11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione

C14H24N2O4 — CID 70826442

IUPAC(11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione
SMILESO=C1CC/C=C/CCC(=O)NCCOCCOCCN1
InChIInChI=1S/C14H24N2O4/c17-13-5-3-1-2-4-6-14(18)16-8-10-20-12-11-19-9-7-15-13/h1-2H,3-12H2,(H,15,17)(H,16,18)/b2-1+
InChIKeySYXFEASKWGRZGQ-OWOJBTEDSA-N
MW284.36 g/mol
LogP0.38
Rot. Bonds

About (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione

(11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione (PubChem CID 70826442) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione.

Molecular Properties

Compound Name(11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione
PubChem CID70826442
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione
SMILESO=C1CC/C=C/CCC(=O)NCCOCCOCCN1
InChIInChI=1S/C14H24N2O4/c17-13-5-3-1-2-4-6-14(18)16-8-10-20-12-11-19-9-7-15-13/h1-2H,3-12H2,(H,15,17)(H,16,18)/b2-1+
InChIKeySYXFEASKWGRZGQ-OWOJBTEDSA-N
XLogP0.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione?
The IUPAC name of (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione (CID 70826442) is (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione.
What is the SMILES notation for (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione?
The canonical SMILES for (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione is O=C1CC/C=C/CCC(=O)NCCOCCOCCN1.
What is the InChIKey of (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione?
The InChIKey is SYXFEASKWGRZGQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13-5-3-1-2-4-6-14(18)16-8-10-20-12-11-19-9-7-15-13/h1-2H,3-12H2,(H,15,17)(H,16,18)/b2-1+.
What are the key properties of (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione?
(11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione has a molecular weight of 284.36 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-1,4-dioxa-7,16-diazacyclooctadec-11-ene-8,15-dione is sourced from PubChem (CID 70826442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).