N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide

C9H18N4O4 — CID 90113006

IUPACN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide
SMILES[N-]=[N+]=NCCOCCOCCOCCNC=O
InChIInChI=1S/C9H18N4O4/c10-13-12-2-4-16-6-8-17-7-5-15-3-1-11-9-14/h9H,1-8H2,(H,11,14)
InChIKeyZSXTZZNMHYSDPZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.09
Rot. Bonds13

About N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide (PubChem CID 90113006) has the molecular formula C9H18N4O4 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide
PubChem CID90113006
Molecular FormulaC9H18N4O4
Molecular Weight246.27 g/mol
Exact Mass246.13
IUPAC NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide
SMILES[N-]=[N+]=NCCOCCOCCOCCNC=O
InChIInChI=1S/C9H18N4O4/c10-13-12-2-4-16-6-8-17-7-5-15-3-1-11-9-14/h9H,1-8H2,(H,11,14)
InChIKeyZSXTZZNMHYSDPZ-UHFFFAOYSA-N
XLogP0.09
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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'}

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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
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 102514821
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
CID 166868754
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486
2-(2-azidoethoxy)acetaldehyde
CID 123518154
ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate
CID 162489427
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]prop-1-ene
CID 150682699
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide (CID 90113006) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide is [N-]=[N+]=NCCOCCOCCOCCNC=O.
What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide?
The InChIKey is ZSXTZZNMHYSDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O4/c10-13-12-2-4-16-6-8-17-7-5-15-3-1-11-9-14/h9H,1-8H2,(H,11,14).
What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide?
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide has a molecular weight of 246.27 g/mol, XLogP of 0.09, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide is sourced from PubChem (CID 90113006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).