2-azido-N-methyl-2-naphthalen-1-ylacetamide

C13H12N4O — CID 10399381

IUPAC2-azido-N-methyl-2-naphthalen-1-ylacetamide
SMILESCNC(=O)C(N=[N+]=[N-])c1cccc2ccccc12
InChIInChI=1S/C13H12N4O/c1-15-13(18)12(16-17-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H,15,18)
InChIKeyIPAAZNXSJGVKQR-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.94
Rot. Bonds3

About 2-azido-N-methyl-2-naphthalen-1-ylacetamide

2-azido-N-methyl-2-naphthalen-1-ylacetamide (PubChem CID 10399381) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-azido-N-methyl-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-azido-N-methyl-2-naphthalen-1-ylacetamide
PubChem CID10399381
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-azido-N-methyl-2-naphthalen-1-ylacetamide
SMILESCNC(=O)C(N=[N+]=[N-])c1cccc2ccccc12
InChIInChI=1S/C13H12N4O/c1-15-13(18)12(16-17-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H,15,18)
InChIKeyIPAAZNXSJGVKQR-UHFFFAOYSA-N
XLogP2.94
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-methyl-2-naphthalen-1-ylacetamide?
The IUPAC name of 2-azido-N-methyl-2-naphthalen-1-ylacetamide (CID 10399381) is 2-azido-N-methyl-2-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-azido-N-methyl-2-naphthalen-1-ylacetamide?
The canonical SMILES for 2-azido-N-methyl-2-naphthalen-1-ylacetamide is CNC(=O)C(N=[N+]=[N-])c1cccc2ccccc12.
What is the InChIKey of 2-azido-N-methyl-2-naphthalen-1-ylacetamide?
The InChIKey is IPAAZNXSJGVKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-15-13(18)12(16-17-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H,15,18).
What are the key properties of 2-azido-N-methyl-2-naphthalen-1-ylacetamide?
2-azido-N-methyl-2-naphthalen-1-ylacetamide has a molecular weight of 240.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-methyl-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 10399381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).