7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

C14H30N2O4 — CID 134951653

IUPAC7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESCCN1CCOCCOCCNCCOCCOCC1
InChIInChI=1S/C14H30N2O4/c1-2-16-5-9-19-13-11-17-7-3-15-4-8-18-12-14-20-10-6-16/h15H,2-14H2,1H3
InChIKeyJSCLHBTZAFMTOJ-UHFFFAOYSA-N
MW290.40 g/mol
LogP-0.02
Rot. Bonds1

About 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (PubChem CID 134951653) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.

Molecular Properties

Compound Name7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
PubChem CID134951653
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESCCN1CCOCCOCCNCCOCCOCC1
InChIInChI=1S/C14H30N2O4/c1-2-16-5-9-19-13-11-17-7-3-15-4-8-18-12-14-20-10-6-16/h15H,2-14H2,1H3
InChIKeyJSCLHBTZAFMTOJ-UHFFFAOYSA-N
XLogP-0.02
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The IUPAC name of 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (CID 134951653) is 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.
What is the SMILES notation for 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The canonical SMILES for 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is CCN1CCOCCOCCNCCOCCOCC1.
What is the InChIKey of 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The InChIKey is JSCLHBTZAFMTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-2-16-5-9-19-13-11-17-7-3-15-4-8-18-12-14-20-10-6-16/h15H,2-14H2,1H3.
What are the key properties of 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane has a molecular weight of 290.40 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is sourced from PubChem (CID 134951653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).