1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone

C11H18N4O4 — CID 172832606

IUPAC1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
SMILESCN1CC(=O)NCC(=O)NCCNC(=O)CCC1=O
InChIInChI=1S/C11H18N4O4/c1-15-7-10(18)14-6-9(17)13-5-4-12-8(16)2-3-11(15)19/h2-7H2,1H3,(H,12,16)(H,13,17)(H,14,18)
InChIKeyVSEXOHMTHIARFK-UHFFFAOYSA-N
MW270.29 g/mol
LogP-2.41
Rot. Bonds

About 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone

1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone (PubChem CID 172832606) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone.

Molecular Properties

Compound Name1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
PubChem CID172832606
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
SMILESCN1CC(=O)NCC(=O)NCCNC(=O)CCC1=O
InChIInChI=1S/C11H18N4O4/c1-15-7-10(18)14-6-9(17)13-5-4-12-8(16)2-3-11(15)19/h2-7H2,1H3,(H,12,16)(H,13,17)(H,14,18)
InChIKeyVSEXOHMTHIARFK-UHFFFAOYSA-N
XLogP-2.41
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone?
The IUPAC name of 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone (CID 172832606) is 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone.
What is the SMILES notation for 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone?
The canonical SMILES for 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone is CN1CC(=O)NCC(=O)NCCNC(=O)CCC1=O.
What is the InChIKey of 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone?
The InChIKey is VSEXOHMTHIARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-15-7-10(18)14-6-9(17)13-5-4-12-8(16)2-3-11(15)19/h2-7H2,1H3,(H,12,16)(H,13,17)(H,14,18).
What are the key properties of 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone?
1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone has a molecular weight of 270.29 g/mol, XLogP of -2.41, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone is sourced from PubChem (CID 172832606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).