2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide

C6H12N4O2 — CID 44508056

IUPAC2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)CN=[N+]=[N-]
InChIInChI=1S/C6H12N4O2/c1-6(2,3)12-9-5(11)4-8-10-7/h4H2,1-3H3,(H,9,11)
InChIKeyPYQYRQVSQGEFOO-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.14
Rot. Bonds3

About 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide

2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 44508056) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Name2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID44508056
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)CN=[N+]=[N-]
InChIInChI=1S/C6H12N4O2/c1-6(2,3)12-9-5(11)4-8-10-7/h4H2,1-3H3,(H,9,11)
InChIKeyPYQYRQVSQGEFOO-UHFFFAOYSA-N
XLogP1.14
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide (CID 44508056) is 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)ONC(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is PYQYRQVSQGEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-6(2,3)12-9-5(11)4-8-10-7/h4H2,1-3H3,(H,9,11).
What are the key properties of 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide?
2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 172.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 44508056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).