tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate

C11H22N4O3 — CID 166715036

IUPACtert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate
SMILESCCN(CCOCCN=[N+]=[N-])C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O3/c1-5-15(10(16)18-11(2,3)4)7-9-17-8-6-13-14-12/h5-9H2,1-4H3
InChIKeyRFMVTINJAFJSSL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.57
Rot. Bonds7

About tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate

tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate (PubChem CID 166715036) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate
PubChem CID166715036
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Nametert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate
SMILESCCN(CCOCCN=[N+]=[N-])C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O3/c1-5-15(10(16)18-11(2,3)4)7-9-17-8-6-13-14-12/h5-9H2,1-4H3
InChIKeyRFMVTINJAFJSSL-UHFFFAOYSA-N
XLogP2.57
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
CID 162489603
3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 126480426
methyl 2-[2-(2-azidoethoxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 162489373
methyl 3-[2-[2-[2-[2-azidoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 162489611
tert-butyl 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132133
tert-butyl 3-[2-[2-[2-[bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 131709282
2-[4-(4-azidobutoxy)butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 168833005
tert-butyl N-(8-azidooctyl)-N-butylcarbamate
CID 58079640
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 170910731
tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 134827749
tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
CID 91809469

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate (CID 166715036) is tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate is CCN(CCOCCN=[N+]=[N-])C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate?
The InChIKey is RFMVTINJAFJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-5-15(10(16)18-11(2,3)4)7-9-17-8-6-13-14-12/h5-9H2,1-4H3.
What are the key properties of tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate?
tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate has a molecular weight of 258.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-ethylcarbamate is sourced from PubChem (CID 166715036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).