N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide

C12H16N4O2 — CID 166283005

IUPACN-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide
SMILESCOCc1ccccc1CC(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C12H16N4O2/c1-18-9-11-5-3-2-4-10(11)8-12(17)14-6-7-15-16-13/h2-5H,6-9H2,1H3,(H,14,17)
InChIKeyCBLOQGMNKLUMLR-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.80
Rot. Bonds7

About N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide

N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide (PubChem CID 166283005) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide
PubChem CID166283005
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide
SMILESCOCc1ccccc1CC(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C12H16N4O2/c1-18-9-11-5-3-2-4-10(11)8-12(17)14-6-7-15-16-13/h2-5H,6-9H2,1H3,(H,14,17)
InChIKeyCBLOQGMNKLUMLR-UHFFFAOYSA-N
XLogP1.80
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-azidoethyl)-2-naphthalen-1-ylacetamide
CID 61342306
N-(2-azidoethyl)-2-(2-nitrophenyl)acetamide
CID 61342315
1-(2-azidoethyl)-3-(2-methoxyphenyl)urea
CID 61342696
2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide
CID 66188947
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
methyl 2-(2-azidoethoxymethyl)benzoate
CID 170346138
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
N-(2-azidoethyl)-2,6-dimethylbenzamide
CID 103845737
N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide
CID 95936669
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55040920
N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide
CID 60977162

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide?
The IUPAC name of N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide (CID 166283005) is N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide?
The canonical SMILES for N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide is COCc1ccccc1CC(=O)NCCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide?
The InChIKey is CBLOQGMNKLUMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-18-9-11-5-3-2-4-10(11)8-12(17)14-6-7-15-16-13/h2-5H,6-9H2,1H3,(H,14,17).
What are the key properties of N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide?
N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide has a molecular weight of 248.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide is sourced from PubChem (CID 166283005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).