N-(2-acetamidoethyl)-2-azidoacetamide

C6H11N5O2 — CID 61374382

IUPACN-(2-acetamidoethyl)-2-azidoacetamide
SMILESCC(=O)NCCNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C6H11N5O2/c1-5(12)8-2-3-9-6(13)4-10-11-7/h2-4H2,1H3,(H,8,12)(H,9,13)
InChIKeyYLGWYODVWKMZFL-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.45
Rot. Bonds5

About N-(2-acetamidoethyl)-2-azidoacetamide

N-(2-acetamidoethyl)-2-azidoacetamide (PubChem CID 61374382) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-azidoacetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-azidoacetamide
PubChem CID61374382
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC NameN-(2-acetamidoethyl)-2-azidoacetamide
SMILESCC(=O)NCCNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C6H11N5O2/c1-5(12)8-2-3-9-6(13)4-10-11-7/h2-4H2,1H3,(H,8,12)(H,9,13)
InChIKeyYLGWYODVWKMZFL-UHFFFAOYSA-N
XLogP-0.45
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-azidoacetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-azidoacetamide (CID 61374382) is N-(2-acetamidoethyl)-2-azidoacetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-azidoacetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-azidoacetamide is CC(=O)NCCNC(=O)CN=[N+]=[N-].
What is the InChIKey of N-(2-acetamidoethyl)-2-azidoacetamide?
The InChIKey is YLGWYODVWKMZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-5(12)8-2-3-9-6(13)4-10-11-7/h2-4H2,1H3,(H,8,12)(H,9,13).
What are the key properties of N-(2-acetamidoethyl)-2-azidoacetamide?
N-(2-acetamidoethyl)-2-azidoacetamide has a molecular weight of 185.19 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-azidoacetamide is sourced from PubChem (CID 61374382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).