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

C12H22N4O4 — CID 166176636

IUPACN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C12H22N4O4/c1-11(2)12(17)14-3-5-18-7-9-20-10-8-19-6-4-15-16-13/h1,3-10H2,2H3,(H,14,17)
InChIKeyHKJKMSFJPCABQR-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.04
Rot. Bonds13

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

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide (PubChem CID 166176636) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
PubChem CID166176636
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C12H22N4O4/c1-11(2)12(17)14-3-5-18-7-9-20-10-8-19-6-4-15-16-13/h1,3-10H2,2H3,(H,14,17)
InChIKeyHKJKMSFJPCABQR-UHFFFAOYSA-N
XLogP1.04
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.04
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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Related Compounds

N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486
sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride
CID 169427331
(2S,3R,4S,5R)-N,N'-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158182
(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158118
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
CID 170113917
ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate
CID 86718998
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 102514821
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 172639428
2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)
CID 156664393

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide (CID 166176636) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide?
The InChIKey is HKJKMSFJPCABQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-11(2)12(17)14-3-5-18-7-9-20-10-8-19-6-4-15-16-13/h1,3-10H2,2H3,(H,14,17).
What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide?
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide has a molecular weight of 286.33 g/mol, XLogP of 1.04, 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]-2-methylprop-2-enamide is sourced from PubChem (CID 166176636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).