2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide

C11H13N3O — CID 137082401

IUPAC2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(=[N+]=[N-])C(=O)N(C)C)cc1
InChIInChI=1S/C11H13N3O/c1-8-4-6-9(7-5-8)10(13-12)11(15)14(2)3/h4-7H,1-3H3
InChIKeySILPADLFONTEGE-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.10
Rot. Bonds2

About 2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide

2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide (PubChem CID 137082401) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide
PubChem CID137082401
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(=[N+]=[N-])C(=O)N(C)C)cc1
InChIInChI=1S/C11H13N3O/c1-8-4-6-9(7-5-8)10(13-12)11(15)14(2)3/h4-7H,1-3H3
InChIKeySILPADLFONTEGE-UHFFFAOYSA-N
XLogP1.10
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide (CID 137082401) is 2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide is Cc1ccc(C(=[N+]=[N-])C(=O)N(C)C)cc1.
What is the InChIKey of 2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide?
The InChIKey is SILPADLFONTEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-4-6-9(7-5-8)10(13-12)11(15)14(2)3/h4-7H,1-3H3.
What are the key properties of 2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide?
2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide has a molecular weight of 203.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-N,N-dimethyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 137082401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).