4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane

C18H40N4O3 — CID 174304183

IUPAC4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane
SMILESCCOCCN1CCOCCNCCN(C)CCOCCN(C)CC1
InChIInChI=1S/C18H40N4O3/c1-4-23-17-12-22-9-8-21(3)11-16-25-15-10-20(2)7-5-19-6-14-24-18-13-22/h19H,4-18H2,1-3H3
InChIKeySUFGFEYCOCOKQA-UHFFFAOYSA-N
MW360.54 g/mol
LogP-0.18
Rot. Bonds4

About 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane

4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane (PubChem CID 174304183) has the molecular formula C18H40N4O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane
PubChem CID174304183
Molecular FormulaC18H40N4O3
Molecular Weight360.54 g/mol
Exact Mass360.31
IUPAC Name4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane
SMILESCCOCCN1CCOCCNCCN(C)CCOCCN(C)CC1
InChIInChI=1S/C18H40N4O3/c1-4-23-17-12-22-9-8-21(3)11-16-25-15-10-20(2)7-5-19-6-14-24-18-13-22/h19H,4-18H2,1-3H3
InChIKeySUFGFEYCOCOKQA-UHFFFAOYSA-N
XLogP-0.18
TPSA49.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane
CID 142597171
1-ethyl-4-methylpiperazine;morpholine
CID 145383471
4-(4-ethoxybutyl)morpholine
CID 10726253
ethane;4-methylmorpholine;1-methylpiperazine
CID 143410242
1,4-dimethylpiperazine;morpholine
CID 157159572
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
1-(3-dimethylphosphorylpropyl)-4-methylpiperazine;4-(3-dimethylphosphorylpropyl)morpholine;1-(3-dimethylphosphorylpropyl)piperazine
CID 159761394
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 134951653

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane?
The IUPAC name of 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane (CID 174304183) is 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane.
What is the SMILES notation for 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane?
The canonical SMILES for 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane is CCOCCN1CCOCCNCCN(C)CCOCCN(C)CC1.
What is the InChIKey of 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane?
The InChIKey is SUFGFEYCOCOKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4O3/c1-4-23-17-12-22-9-8-21(3)11-16-25-15-10-20(2)7-5-19-6-14-24-18-13-22/h19H,4-18H2,1-3H3.
What are the key properties of 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane?
4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane has a molecular weight of 360.54 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-7,13-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane is sourced from PubChem (CID 174304183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).