N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide

C11H20N4O4 — CID 91317844

IUPACN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C11H20N4O4/c1-2-11(16)13-3-5-17-7-9-19-10-8-18-6-4-14-15-12/h2H,1,3-10H2,(H,13,16)
InChIKeyYAMCTOLBMDSYNI-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.65
Rot. Bonds13

About N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 91317844) has the molecular formula C11H20N4O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID91317844
Molecular FormulaC11H20N4O4
Molecular Weight272.30 g/mol
Exact Mass272.15
IUPAC NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C11H20N4O4/c1-2-11(16)13-3-5-17-7-9-19-10-8-18-6-4-14-15-12/h2H,1,3-10H2,(H,13,16)
InChIKeyYAMCTOLBMDSYNI-UHFFFAOYSA-N
XLogP0.65
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide (CID 91317844) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is YAMCTOLBMDSYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-2-11(16)13-3-5-17-7-9-19-10-8-18-6-4-14-15-12/h2H,1,3-10H2,(H,13,16).
What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide?
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 272.30 g/mol, XLogP of 0.65, 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]prop-2-enamide is sourced from PubChem (CID 91317844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).