13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione

C16H32N4O5 — CID 10992026

IUPAC13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione
SMILESCN1CCN(C)CC(=O)NCCOCCOCCOCCNC(=O)C1
InChIInChI=1S/C16H32N4O5/c1-19-5-6-20(2)14-16(22)18-4-8-24-10-12-25-11-9-23-7-3-17-15(21)13-19/h3-14H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyAKOCTRZEMWZWHC-UHFFFAOYSA-N
MW360.46 g/mol
LogP-1.85
Rot. Bonds

About 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione

13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione (PubChem CID 10992026) has the molecular formula C16H32N4O5 and a molecular weight of 360.46 g/mol. Its IUPAC name is 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione.

Molecular Properties

Compound Name13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione
PubChem CID10992026
Molecular FormulaC16H32N4O5
Molecular Weight360.46 g/mol
Exact Mass360.24
IUPAC Name13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione
SMILESCN1CCN(C)CC(=O)NCCOCCOCCOCCNC(=O)C1
InChIInChI=1S/C16H32N4O5/c1-19-5-6-20(2)14-16(22)18-4-8-24-10-12-25-11-9-23-7-3-17-15(21)13-19/h3-14H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyAKOCTRZEMWZWHC-UHFFFAOYSA-N
XLogP-1.85
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione?
The IUPAC name of 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione (CID 10992026) is 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione.
What is the SMILES notation for 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione?
The canonical SMILES for 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione is CN1CCN(C)CC(=O)NCCOCCOCCOCCNC(=O)C1.
What is the InChIKey of 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione?
The InChIKey is AKOCTRZEMWZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O5/c1-19-5-6-20(2)14-16(22)18-4-8-24-10-12-25-11-9-23-7-3-17-15(21)13-19/h3-14H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione?
13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione has a molecular weight of 360.46 g/mol, XLogP of -1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13,16-dimethyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,18-dione is sourced from PubChem (CID 10992026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).