tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate

C21H35NO6 — CID 135278255

IUPACtert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate
SMILESCCOc1ccc(OCCN(C)CCOCCOCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H35NO6/c1-6-26-18-7-9-19(10-8-18)27-14-12-22(5)11-13-24-15-16-25-17-20(23)28-21(2,3)4/h7-10H,6,11-17H2,1-5H3
InChIKeyOYSSLTIWPKVMAY-UHFFFAOYSA-N
MW397.51 g/mol
LogP2.77
Rot. Bonds14

About tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate (PubChem CID 135278255) has the molecular formula C21H35NO6 and a molecular weight of 397.51 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate
PubChem CID135278255
Molecular FormulaC21H35NO6
Molecular Weight397.51 g/mol
Exact Mass397.25
IUPAC Nametert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate
SMILESCCOc1ccc(OCCN(C)CCOCCOCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H35NO6/c1-6-26-18-7-9-19(10-8-18)27-14-12-22(5)11-13-24-15-16-25-17-20(23)28-21(2,3)4/h7-10H,6,11-17H2,1-5H3
InChIKeyOYSSLTIWPKVMAY-UHFFFAOYSA-N
XLogP2.77
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 135278158
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CID 162116260
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CID 170003687
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CID 140881958
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
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tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
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tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 134582807
tert-butyl 2-[[1-bromo-3-(4-ethoxyphenyl)propan-2-yl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 67571121
tert-butyl 2-[2-[2-[4-(5-methylsulfinyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]acetate
CID 177203858
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate (CID 135278255) is tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate is CCOc1ccc(OCCN(C)CCOCCOCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate?
The InChIKey is OYSSLTIWPKVMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO6/c1-6-26-18-7-9-19(10-8-18)27-14-12-22(5)11-13-24-15-16-25-17-20(23)28-21(2,3)4/h7-10H,6,11-17H2,1-5H3.
What are the key properties of tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate has a molecular weight of 397.51 g/mol, XLogP of 2.77, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate is sourced from PubChem (CID 135278255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).