4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one

C13H26N2O5 — CID 568336

IUPAC4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one
SMILESCN1CCOCCOCCOCCOCCN(C)C1=O
InChIInChI=1S/C13H26N2O5/c1-14-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15(2)13(14)16/h3-12H2,1-2H3
InChIKeyMGYQLJGADWUTMC-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.05
Rot. Bonds

About 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one

4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one (PubChem CID 568336) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one.

Molecular Properties

Compound Name4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one
PubChem CID568336
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one
SMILESCN1CCOCCOCCOCCOCCN(C)C1=O
InChIInChI=1S/C13H26N2O5/c1-14-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15(2)13(14)16/h3-12H2,1-2H3
InChIKeyMGYQLJGADWUTMC-UHFFFAOYSA-N
XLogP0.05
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one?
The IUPAC name of 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one (CID 568336) is 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one.
What is the SMILES notation for 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one?
The canonical SMILES for 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one is CN1CCOCCOCCOCCOCCN(C)C1=O.
What is the InChIKey of 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one?
The InChIKey is MGYQLJGADWUTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-14-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15(2)13(14)16/h3-12H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one?
4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one has a molecular weight of 290.36 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one is sourced from PubChem (CID 568336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).