N-(2-azidophenyl)-2-methylpropanamide

C10H12N4O — CID 152547444

IUPACN-(2-azidophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1N=[N+]=[N-]
InChIInChI=1S/C10H12N4O/c1-7(2)10(15)12-8-5-3-4-6-9(8)13-14-11/h3-7H,1-2H3,(H,12,15)
InChIKeyYMTWJIGYOONXBT-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.22
Rot. Bonds3

About N-(2-azidophenyl)-2-methylpropanamide

N-(2-azidophenyl)-2-methylpropanamide (PubChem CID 152547444) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(2-azidophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-azidophenyl)-2-methylpropanamide
PubChem CID152547444
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-(2-azidophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1N=[N+]=[N-]
InChIInChI=1S/C10H12N4O/c1-7(2)10(15)12-8-5-3-4-6-9(8)13-14-11/h3-7H,1-2H3,(H,12,15)
InChIKeyYMTWJIGYOONXBT-UHFFFAOYSA-N
XLogP3.22
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.22
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-azidophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-azidophenyl)-2-methylpropanamide (CID 152547444) is N-(2-azidophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-azidophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-azidophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccccc1N=[N+]=[N-].
What is the InChIKey of N-(2-azidophenyl)-2-methylpropanamide?
The InChIKey is YMTWJIGYOONXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7(2)10(15)12-8-5-3-4-6-9(8)13-14-11/h3-7H,1-2H3,(H,12,15).
What are the key properties of N-(2-azidophenyl)-2-methylpropanamide?
N-(2-azidophenyl)-2-methylpropanamide has a molecular weight of 204.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidophenyl)-2-methylpropanamide is sourced from PubChem (CID 152547444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).