diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate

C16H30N2O7 — CID 660650

IUPACdiethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate
SMILESCCOC(=O)N1CCOCCOCCN(C(=O)OCC)CCOCC1
InChIInChI=1S/C16H30N2O7/c1-3-24-15(19)17-5-9-21-10-6-18(16(20)25-4-2)8-12-23-14-13-22-11-7-17/h3-14H2,1-2H3
InChIKeyRUMUQXZUKWOQMH-UHFFFAOYSA-N
MW362.42 g/mol
LogP0.97
Rot. Bonds2

About diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate

diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate (PubChem CID 660650) has the molecular formula C16H30N2O7 and a molecular weight of 362.42 g/mol. Its IUPAC name is diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate
PubChem CID660650
Molecular FormulaC16H30N2O7
Molecular Weight362.42 g/mol
Exact Mass362.21
IUPAC Namediethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate
SMILESCCOC(=O)N1CCOCCOCCN(C(=O)OCC)CCOCC1
InChIInChI=1S/C16H30N2O7/c1-3-24-15(19)17-5-9-21-10-6-18(16(20)25-4-2)8-12-23-14-13-22-11-7-17/h3-14H2,1-2H3
InChIKeyRUMUQXZUKWOQMH-UHFFFAOYSA-N
XLogP0.97
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate?
The IUPAC name of diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate (CID 660650) is diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate.
What is the SMILES notation for diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate?
The canonical SMILES for diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate is CCOC(=O)N1CCOCCOCCN(C(=O)OCC)CCOCC1.
What is the InChIKey of diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate?
The InChIKey is RUMUQXZUKWOQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O7/c1-3-24-15(19)17-5-9-21-10-6-18(16(20)25-4-2)8-12-23-14-13-22-11-7-17/h3-14H2,1-2H3.
What are the key properties of diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate?
diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate has a molecular weight of 362.42 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate is sourced from PubChem (CID 660650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).