ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate

C14H28N4O6 — CID 162489427

IUPACethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate
SMILESCCOC(=O)CNCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C14H28N4O6/c1-2-24-14(19)13-16-3-5-20-7-9-22-11-12-23-10-8-21-6-4-17-18-15/h16H,2-13H2,1H3
InChIKeyNFKCOOIMTUARPM-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.52
Rot. Bonds18

About ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate

ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate (PubChem CID 162489427) has the molecular formula C14H28N4O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate
PubChem CID162489427
Molecular FormulaC14H28N4O6
Molecular Weight348.40 g/mol
Exact Mass348.20
IUPAC Nameethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate
SMILESCCOC(=O)CNCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C14H28N4O6/c1-2-24-14(19)13-16-3-5-20-7-9-22-11-12-23-10-8-21-6-4-17-18-15/h16H,2-13H2,1H3
InChIKeyNFKCOOIMTUARPM-UHFFFAOYSA-N
XLogP0.52
TPSA124.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 172639428
ethyl 7-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]heptanoate
CID 163846395
ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate
CID 86718998
ethyl 2-(2-carbamoyloxyethylamino)acetate
CID 83209785
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
CID 166868754
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 102514821
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide
CID 90113006

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate?
The IUPAC name of ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate (CID 162489427) is ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate is CCOC(=O)CNCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate?
The InChIKey is NFKCOOIMTUARPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O6/c1-2-24-14(19)13-16-3-5-20-7-9-22-11-12-23-10-8-21-6-4-17-18-15/h16H,2-13H2,1H3.
What are the key properties of ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate?
ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate has a molecular weight of 348.40 g/mol, XLogP of 0.52, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate is sourced from PubChem (CID 162489427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).