tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate

C17H34N4O8 — CID 134827749

IUPACtert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C17H34N4O8/c1-17(2,3)29-16(22)20-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-19-21-18/h4-15H2,1-3H3,(H,20,22)
InChIKeyRDCAWXMQQLMLFW-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.84
Rot. Bonds19

About tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate

tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate (PubChem CID 134827749) has the molecular formula C17H34N4O8 and a molecular weight of 422.48 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
PubChem CID134827749
Molecular FormulaC17H34N4O8
Molecular Weight422.48 g/mol
Exact Mass422.24
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C17H34N4O8/c1-17(2,3)29-16(22)20-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-19-21-18/h4-15H2,1-3H3,(H,20,22)
InChIKeyRDCAWXMQQLMLFW-UHFFFAOYSA-N
XLogP1.84
TPSA142.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
CID 91809469
tert-butyl N-[2-[2-[[1,3-bis(3-azidopropoxy)-2-(3-azidopropoxymethyl)propan-2-yl]amino]-2-oxoethoxy]ethoxy]carbamate
CID 164822318
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-iodoethoxy)ethoxy]ethoxy]carbamate
CID 59981200
tert-butyl N-[1,5-bis[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1,5-dioxopentan-3-yl]carbamate
CID 155257760
tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]propanoate
CID 91757752
tert-butyl N-[2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy]carbamate;ethane
CID 177228817
tert-butyl N-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]-2-[[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 164702959
tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate
CID 121478558
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate
CID 118283829
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
CID 170113917
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate (CID 134827749) is tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate is CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate?
The InChIKey is RDCAWXMQQLMLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O8/c1-17(2,3)29-16(22)20-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-19-21-18/h4-15H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate?
tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate has a molecular weight of 422.48 g/mol, XLogP of 1.84, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate is sourced from PubChem (CID 134827749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).