2-azido-N-(2,3-dimethoxyphenyl)acetamide

C10H12N4O3 — CID 98128021

IUPAC2-azido-N-(2,3-dimethoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN=[N+]=[N-])c1OC
InChIInChI=1S/C10H12N4O3/c1-16-8-5-3-4-7(10(8)17-2)13-9(15)6-12-14-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyBVTAGFHDIKDHOY-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.95
Rot. Bonds5

About 2-azido-N-(2,3-dimethoxyphenyl)acetamide

2-azido-N-(2,3-dimethoxyphenyl)acetamide (PubChem CID 98128021) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-azido-N-(2,3-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-azido-N-(2,3-dimethoxyphenyl)acetamide
PubChem CID98128021
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-azido-N-(2,3-dimethoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN=[N+]=[N-])c1OC
InChIInChI=1S/C10H12N4O3/c1-16-8-5-3-4-7(10(8)17-2)13-9(15)6-12-14-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyBVTAGFHDIKDHOY-UHFFFAOYSA-N
XLogP1.95
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,3-dimethoxyphenyl)-3-oxobutanamide
CID 53434807
1-(2-azidoethyl)-3-(2-methoxyphenyl)urea
CID 61342696
1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771
2-azido-N-(2,6-difluorophenyl)acetamide
CID 55137363
2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone
CID 54349012
N-(2,3-dimethoxyphenyl)-2-hydroxybenzamide
CID 90715346
2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide
CID 4991836
(2,3-dimethoxyphenyl)hydrazine;oxalic acid
CID 138619580
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
3-(3-but-3-ynyldiazirin-3-yl)-N-(2,3-dimethoxyphenyl)propanamide
CID 167922696
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
2-(2,3-dimethoxyanilino)ethanol
CID 174734615

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(2,3-dimethoxyphenyl)acetamide?
The IUPAC name of 2-azido-N-(2,3-dimethoxyphenyl)acetamide (CID 98128021) is 2-azido-N-(2,3-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-azido-N-(2,3-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-azido-N-(2,3-dimethoxyphenyl)acetamide is COc1cccc(NC(=O)CN=[N+]=[N-])c1OC.
What is the InChIKey of 2-azido-N-(2,3-dimethoxyphenyl)acetamide?
The InChIKey is BVTAGFHDIKDHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-16-8-5-3-4-7(10(8)17-2)13-9(15)6-12-14-11/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-azido-N-(2,3-dimethoxyphenyl)acetamide?
2-azido-N-(2,3-dimethoxyphenyl)acetamide has a molecular weight of 236.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(2,3-dimethoxyphenyl)acetamide is sourced from PubChem (CID 98128021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).