N-(3-azido-2-methylphenyl)-2-methoxyacetamide

C10H12N4O2 — CID 169324993

IUPACN-(3-azido-2-methylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(N=[N+]=[N-])c1C
InChIInChI=1S/C10H12N4O2/c1-7-8(12-10(15)6-16-2)4-3-5-9(7)13-14-11/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyMLVPJUTYJDHKTQ-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.52
Rot. Bonds4

About N-(3-azido-2-methylphenyl)-2-methoxyacetamide

N-(3-azido-2-methylphenyl)-2-methoxyacetamide (PubChem CID 169324993) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(3-azido-2-methylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-azido-2-methylphenyl)-2-methoxyacetamide
PubChem CID169324993
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-(3-azido-2-methylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(N=[N+]=[N-])c1C
InChIInChI=1S/C10H12N4O2/c1-7-8(12-10(15)6-16-2)4-3-5-9(7)13-14-11/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyMLVPJUTYJDHKTQ-UHFFFAOYSA-N
XLogP2.52
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.52
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-azido-2-methylphenyl)furan-2-carboxamide
CID 169324992
N-(2-azidophenyl)-2-bromoacetamide
CID 91902656
1,3-diazido-2-methylbenzene
CID 71379514
N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxyacetamide
CID 64590774
2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370537
2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 103606726
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-methoxyacetamide
CID 107800785
2-methoxy-N-[2-methyl-3-[2-(N-methylanilino)ethylcarbamoylamino]phenyl]acetamide
CID 72888813
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methoxyacetamide
CID 24697766
2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769186

Frequently Asked Questions

What is the IUPAC name of N-(3-azido-2-methylphenyl)-2-methoxyacetamide?
The IUPAC name of N-(3-azido-2-methylphenyl)-2-methoxyacetamide (CID 169324993) is N-(3-azido-2-methylphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-azido-2-methylphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-azido-2-methylphenyl)-2-methoxyacetamide is COCC(=O)Nc1cccc(N=[N+]=[N-])c1C.
What is the InChIKey of N-(3-azido-2-methylphenyl)-2-methoxyacetamide?
The InChIKey is MLVPJUTYJDHKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-8(12-10(15)6-16-2)4-3-5-9(7)13-14-11/h3-5H,6H2,1-2H3,(H,12,15).
What are the key properties of N-(3-azido-2-methylphenyl)-2-methoxyacetamide?
N-(3-azido-2-methylphenyl)-2-methoxyacetamide has a molecular weight of 220.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azido-2-methylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 169324993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).