ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate

C13H18N4O2 — CID 66190436

IUPACethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate
SMILESCCOC(=O)C(NCCN=[N+]=[N-])c1ccccc1C
InChIInChI=1S/C13H18N4O2/c1-3-19-13(18)12(15-8-9-16-17-14)11-7-5-4-6-10(11)2/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyGMOUOPNYHFBRPU-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.50
Rot. Bonds7

About ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate

ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate (PubChem CID 66190436) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate
PubChem CID66190436
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nameethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate
SMILESCCOC(=O)C(NCCN=[N+]=[N-])c1ccccc1C
InChIInChI=1S/C13H18N4O2/c1-3-19-13(18)12(15-8-9-16-17-14)11-7-5-4-6-10(11)2/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyGMOUOPNYHFBRPU-UHFFFAOYSA-N
XLogP2.50
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate
CID 66190048
ethyl 2-(2-azidoethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 66190428
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
methyl 2-(2-azidoethylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 66189224
2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide
CID 66165772
ethyl 2-(3-azidopropylamino)-2-(2,5-dimethylthiophen-3-yl)acetate
CID 66190132
methyl 2-(3-azidopropylamino)-2-(4-fluoro-2-methylphenyl)acetate
CID 66189317
1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one
CID 142068902
ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699635
ethyl 2-(3-azidopropylamino)-2-(3,4-dichlorophenyl)acetate
CID 66190326
methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
CID 54977746
ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate
CID 60993848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate?
The IUPAC name of ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate (CID 66190436) is ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate is CCOC(=O)C(NCCN=[N+]=[N-])c1ccccc1C.
What is the InChIKey of ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate?
The InChIKey is GMOUOPNYHFBRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-19-13(18)12(15-8-9-16-17-14)11-7-5-4-6-10(11)2/h4-7,12,15H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate?
ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate has a molecular weight of 262.31 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate is sourced from PubChem (CID 66190436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).