N-[2-(2-azidoethoxy)ethyl]benzamide

C11H14N4O2 — CID 156666189

IUPACN-[2-(2-azidoethoxy)ethyl]benzamide
SMILES[N-]=[N+]=NCCOCCNC(=O)c1ccccc1
InChIInChI=1S/C11H14N4O2/c12-15-14-7-9-17-8-6-13-11(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,16)
InChIKeyYMWNZPLWGQOQOD-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(2-azidoethoxy)ethyl]benzamide

N-[2-(2-azidoethoxy)ethyl]benzamide (PubChem CID 156666189) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[2-(2-azidoethoxy)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-azidoethoxy)ethyl]benzamide
PubChem CID156666189
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-[2-(2-azidoethoxy)ethyl]benzamide
SMILES[N-]=[N+]=NCCOCCNC(=O)c1ccccc1
InChIInChI=1S/C11H14N4O2/c12-15-14-7-9-17-8-6-13-11(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,16)
InChIKeyYMWNZPLWGQOQOD-UHFFFAOYSA-N
XLogP1.74
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
2-N,7-N-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-9H-fluorene-2,7-dicarboxamide
CID 175531818
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
CID 61344378
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
(2S)-2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylcarbamoyl]anilino]-6-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]propanoic acid
CID 23956823
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,4-bis[(2-bromoacetyl)amino]benzamide
CID 155445623
N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-4-[[4-[5-(2-benzamidoethoxy)pentylamino]-6-(3-hydroxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 71157533
4-[[4-[(4-aminocyclohexa-1,3-dien-1-yl)amino]-6-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]amino]-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]benzamide
CID 71157567
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
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azidoethoxy)ethyl]benzamide?
The IUPAC name of N-[2-(2-azidoethoxy)ethyl]benzamide (CID 156666189) is N-[2-(2-azidoethoxy)ethyl]benzamide.
What is the SMILES notation for N-[2-(2-azidoethoxy)ethyl]benzamide?
The canonical SMILES for N-[2-(2-azidoethoxy)ethyl]benzamide is [N-]=[N+]=NCCOCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-azidoethoxy)ethyl]benzamide?
The InChIKey is YMWNZPLWGQOQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-15-14-7-9-17-8-6-13-11(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,16).
What are the key properties of N-[2-(2-azidoethoxy)ethyl]benzamide?
N-[2-(2-azidoethoxy)ethyl]benzamide has a molecular weight of 234.26 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-azidoethoxy)ethyl]benzamide is sourced from PubChem (CID 156666189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).