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

C14H27BrN4O6 — CID 77078486

IUPACN-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCNC(=O)CBr
InChIInChI=1S/C14H27BrN4O6/c15-13-14(20)17-1-3-21-5-7-23-9-11-25-12-10-24-8-6-22-4-2-18-19-16/h1-13H2,(H,17,20)
InChIKeyVSMFHNNLUORRKS-UHFFFAOYSA-N
MW427.30 g/mol
LogP0.89
Rot. Bonds19

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

N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide (PubChem CID 77078486) has the molecular formula C14H27BrN4O6 and a molecular weight of 427.30 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
PubChem CID77078486
Molecular FormulaC14H27BrN4O6
Molecular Weight427.30 g/mol
Exact Mass426.11
IUPAC NameN-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCNC(=O)CBr
InChIInChI=1S/C14H27BrN4O6/c15-13-14(20)17-1-3-21-5-7-23-9-11-25-12-10-24-8-6-22-4-2-18-19-16/h1-13H2,(H,17,20)
InChIKeyVSMFHNNLUORRKS-UHFFFAOYSA-N
XLogP0.89
TPSA124.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 50.89
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
4-amino-N,N'-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 170098519
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636
tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium
CID 170560241
(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
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
CID 166868754
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,4-bis[(2-bromoacetyl)amino]benzamide
CID 155445623
ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate
CID 86718998
sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride
CID 169427331
2-[4-[2-[2-(2-azidoethoxy)ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170919570

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide?
The IUPAC name of N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide (CID 77078486) is N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide is [N-]=[N+]=NCCOCCOCCOCCOCCOCCNC(=O)CBr.
What is the InChIKey of N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide?
The InChIKey is VSMFHNNLUORRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN4O6/c15-13-14(20)17-1-3-21-5-7-23-9-11-25-12-10-24-8-6-22-4-2-18-19-16/h1-13H2,(H,17,20).
What are the key properties of N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide?
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide has a molecular weight of 427.30 g/mol, XLogP of 0.89, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide is sourced from PubChem (CID 77078486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).