4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione

C18H36N4O6 — CID 3123189

IUPAC4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione
SMILESCN1CCOCCOCCOCCN(C)C(=O)N(C)CCOCCN(C)C1=O
InChIInChI=1S/C18H36N4O6/c1-19-5-9-25-10-6-20(2)18(24)22(4)8-12-27-14-16-28-15-13-26-11-7-21(3)17(19)23/h5-16H2,1-4H3
InChIKeyQUYZLYYHVZHDIU-UHFFFAOYSA-N
MW404.51 g/mol
LogP0.03
Rot. Bonds

About 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione

4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione (PubChem CID 3123189) has the molecular formula C18H36N4O6 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione.

Molecular Properties

Compound Name4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione
PubChem CID3123189
Molecular FormulaC18H36N4O6
Molecular Weight404.51 g/mol
Exact Mass404.26
IUPAC Name4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione
SMILESCN1CCOCCOCCOCCN(C)C(=O)N(C)CCOCCN(C)C1=O
InChIInChI=1S/C18H36N4O6/c1-19-5-9-25-10-6-20(2)18(24)22(4)8-12-27-14-16-28-15-13-26-11-7-21(3)17(19)23/h5-16H2,1-4H3
InChIKeyQUYZLYYHVZHDIU-UHFFFAOYSA-N
XLogP0.03
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione?
The IUPAC name of 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione (CID 3123189) is 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione.
What is the SMILES notation for 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione?
The canonical SMILES for 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione is CN1CCOCCOCCOCCN(C)C(=O)N(C)CCOCCN(C)C1=O.
What is the InChIKey of 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione?
The InChIKey is QUYZLYYHVZHDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O6/c1-19-5-9-25-10-6-20(2)18(24)22(4)8-12-27-14-16-28-15-13-26-11-7-21(3)17(19)23/h5-16H2,1-4H3.
What are the key properties of 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione?
4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione has a molecular weight of 404.51 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,12,14-tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione is sourced from PubChem (CID 3123189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).