1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone

C15H26N4O5 — CID 162461071

IUPAC1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
SMILESCOCN1C(=O)CCC(=O)N(C)CCN(C)C(=O)CNC(=O)C1C
InChIInChI=1S/C15H26N4O5/c1-11-15(23)16-9-14(22)18(3)8-7-17(2)12(20)5-6-13(21)19(11)10-24-4/h11H,5-10H2,1-4H3,(H,16,23)
InChIKeyRUPIICRCGWMKSE-UHFFFAOYSA-N
MW342.40 g/mol
LogP-1.37
Rot. Bonds2

About 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone

1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone (PubChem CID 162461071) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone.

Molecular Properties

Compound Name1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
PubChem CID162461071
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
SMILESCOCN1C(=O)CCC(=O)N(C)CCN(C)C(=O)CNC(=O)C1C
InChIInChI=1S/C15H26N4O5/c1-11-15(23)16-9-14(22)18(3)8-7-17(2)12(20)5-6-13(21)19(11)10-24-4/h11H,5-10H2,1-4H3,(H,16,23)
InChIKeyRUPIICRCGWMKSE-UHFFFAOYSA-N
XLogP-1.37
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone?
The IUPAC name of 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone (CID 162461071) is 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone.
What is the SMILES notation for 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone?
The canonical SMILES for 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone is COCN1C(=O)CCC(=O)N(C)CCN(C)C(=O)CNC(=O)C1C.
What is the InChIKey of 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone?
The InChIKey is RUPIICRCGWMKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-11-15(23)16-9-14(22)18(3)8-7-17(2)12(20)5-6-13(21)19(11)10-24-4/h11H,5-10H2,1-4H3,(H,16,23).
What are the key properties of 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone?
1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone has a molecular weight of 342.40 g/mol, XLogP of -1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2,7,10-trimethyl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone is sourced from PubChem (CID 162461071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).