4-azido-N-ethyl-N-methylbenzamide

C10H12N4O — CID 150089874

IUPAC4-azido-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C10H12N4O/c1-3-14(2)10(15)8-4-6-9(7-5-8)12-13-11/h4-7H,3H2,1-2H3
InChIKeyDSZMAMAZDFASTJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.72
Rot. Bonds3

About 4-azido-N-ethyl-N-methylbenzamide

4-azido-N-ethyl-N-methylbenzamide (PubChem CID 150089874) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-azido-N-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name4-azido-N-ethyl-N-methylbenzamide
PubChem CID150089874
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-azido-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C10H12N4O/c1-3-14(2)10(15)8-4-6-9(7-5-8)12-13-11/h4-7H,3H2,1-2H3
InChIKeyDSZMAMAZDFASTJ-UHFFFAOYSA-N
XLogP2.72
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
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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decyl 4-azidobenzoate
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4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-azido-N-ethyl-N-methylbenzamide?
The IUPAC name of 4-azido-N-ethyl-N-methylbenzamide (CID 150089874) is 4-azido-N-ethyl-N-methylbenzamide.
What is the SMILES notation for 4-azido-N-ethyl-N-methylbenzamide?
The canonical SMILES for 4-azido-N-ethyl-N-methylbenzamide is CCN(C)C(=O)c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of 4-azido-N-ethyl-N-methylbenzamide?
The InChIKey is DSZMAMAZDFASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-14(2)10(15)8-4-6-9(7-5-8)12-13-11/h4-7H,3H2,1-2H3.
What are the key properties of 4-azido-N-ethyl-N-methylbenzamide?
4-azido-N-ethyl-N-methylbenzamide has a molecular weight of 204.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-ethyl-N-methylbenzamide is sourced from PubChem (CID 150089874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).