tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate

C18H37NO7 — CID 126602178

IUPACtert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate
SMILESCNCCOCCOCCCOCCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO7/c1-18(2,3)26-17(20)16-25-15-14-24-13-11-22-8-5-7-21-10-12-23-9-6-19-4/h19H,5-16H2,1-4H3
InChIKeyKLNQVNPEVHWVCF-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.02
Rot. Bonds18

About tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate (PubChem CID 126602178) has the molecular formula C18H37NO7 and a molecular weight of 379.49 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate
PubChem CID126602178
Molecular FormulaC18H37NO7
Molecular Weight379.49 g/mol
Exact Mass379.26
IUPAC Nametert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate
SMILESCNCCOCCOCCCOCCOCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C18H37NO7/c1-18(2,3)26-17(20)16-25-15-14-24-13-11-22-8-5-7-21-10-12-23-9-6-19-4/h19H,5-16H2,1-4H3
InChIKeyKLNQVNPEVHWVCF-UHFFFAOYSA-N
XLogP1.02
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
tert-butyl 2-(3-hexoxypropoxy)acetate
CID 122428498
tert-butyl 2-[3-(6-methylheptoxy)propoxy]acetate
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CID 162115968
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
tert-butyl 2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
CID 170899127
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate (CID 126602178) is tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate is CNCCOCCOCCCOCCOCCOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate?
The InChIKey is KLNQVNPEVHWVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO7/c1-18(2,3)26-17(20)16-25-15-14-24-13-11-22-8-5-7-21-10-12-23-9-6-19-4/h19H,5-16H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate has a molecular weight of 379.49 g/mol, XLogP of 1.02, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 126602178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).