4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione

C12H24N4O3 — CID 545984

IUPAC4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione
SMILESCN1CCOCCN(C)C(=O)N(C)CCN(C)C1=O
InChIInChI=1S/C12H24N4O3/c1-13-5-6-14(2)12(18)16(4)8-10-19-9-7-15(3)11(13)17/h5-10H2,1-4H3
InChIKeyPMOBTAAAYIXYLA-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.02
Rot. Bonds

About 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione

4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione (PubChem CID 545984) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione.

Molecular Properties

Compound Name4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione
PubChem CID545984
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione
SMILESCN1CCOCCN(C)C(=O)N(C)CCN(C)C1=O
InChIInChI=1S/C12H24N4O3/c1-13-5-6-14(2)12(18)16(4)8-10-19-9-7-15(3)11(13)17/h5-10H2,1-4H3
InChIKeyPMOBTAAAYIXYLA-UHFFFAOYSA-N
XLogP-0.02
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione?
The IUPAC name of 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione (CID 545984) is 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione.
What is the SMILES notation for 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione?
The canonical SMILES for 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione is CN1CCOCCN(C)C(=O)N(C)CCN(C)C1=O.
What is the InChIKey of 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione?
The InChIKey is PMOBTAAAYIXYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-13-5-6-14(2)12(18)16(4)8-10-19-9-7-15(3)11(13)17/h5-10H2,1-4H3.
What are the key properties of 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione?
4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione has a molecular weight of 272.35 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,9,11-tetramethyl-1-oxa-4,6,9,11-tetrazacyclotridecane-5,10-dione is sourced from PubChem (CID 545984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).