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

C13H26N4O6 — CID 91809469

IUPACtert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C13H26N4O6/c1-13(2,3)23-12(18)16-22-11-10-21-9-8-20-7-6-19-5-4-15-17-14/h4-11H2,1-3H3,(H,16,18)
InChIKeyNMMKIEUJNULAEQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.80
Rot. Bonds13

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

tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate (PubChem CID 91809469) has the molecular formula C13H26N4O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
PubChem CID91809469
Molecular FormulaC13H26N4O6
Molecular Weight334.37 g/mol
Exact Mass334.19
IUPAC Nametert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C13H26N4O6/c1-13(2,3)23-12(18)16-22-11-10-21-9-8-20-7-6-19-5-4-15-17-14/h4-11H2,1-3H3,(H,16,18)
InChIKeyNMMKIEUJNULAEQ-UHFFFAOYSA-N
XLogP1.80
TPSA124.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 134827749
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-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate (CID 91809469) is tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate is CC(C)(C)OC(=O)NOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate?
The InChIKey is NMMKIEUJNULAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O6/c1-13(2,3)23-12(18)16-22-11-10-21-9-8-20-7-6-19-5-4-15-17-14/h4-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate?
tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate has a molecular weight of 334.37 g/mol, XLogP of 1.80, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate is sourced from PubChem (CID 91809469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).