4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one

C11H22N2O4 — CID 568335

IUPAC4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one
SMILESCN1CCOCCOCCOCCN(C)C1=O
InChIInChI=1S/C11H22N2O4/c1-12-3-5-15-7-9-17-10-8-16-6-4-13(2)11(12)14/h3-10H2,1-2H3
InChIKeyGNQPGNAXRMBENJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.03
Rot. Bonds

About 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one

4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one (PubChem CID 568335) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one.

Molecular Properties

Compound Name4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one
PubChem CID568335
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one
SMILESCN1CCOCCOCCOCCN(C)C1=O
InChIInChI=1S/C11H22N2O4/c1-12-3-5-15-7-9-17-10-8-16-6-4-13(2)11(12)14/h3-10H2,1-2H3
InChIKeyGNQPGNAXRMBENJ-UHFFFAOYSA-N
XLogP0.03
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one?
The IUPAC name of 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one (CID 568335) is 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one.
What is the SMILES notation for 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one?
The canonical SMILES for 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one is CN1CCOCCOCCOCCN(C)C1=O.
What is the InChIKey of 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one?
The InChIKey is GNQPGNAXRMBENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-12-3-5-15-7-9-17-10-8-16-6-4-13(2)11(12)14/h3-10H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one?
4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one has a molecular weight of 246.31 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one is sourced from PubChem (CID 568335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).