ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate

C12H16N2O4 — CID 61102333

IUPACethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C12H16N2O4/c1-2-17-12(16)7-14-11(15)8-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyRQRUCNDJDRCEMF-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.33
Rot. Bonds6

About ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate

ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate (PubChem CID 61102333) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
PubChem CID61102333
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C12H16N2O4/c1-2-17-12(16)7-14-11(15)8-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyRQRUCNDJDRCEMF-UHFFFAOYSA-N
XLogP0.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712
ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate
CID 166386485
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide
CID 61103897
2-(4-aminophenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78985015

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate (CID 61102333) is ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate is CCOC(=O)CNC(=O)COc1ccc(N)cc1.
What is the InChIKey of ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate?
The InChIKey is RQRUCNDJDRCEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-17-12(16)7-14-11(15)8-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8,13H2,1H3,(H,14,15).
What are the key properties of ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate?
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate has a molecular weight of 252.27 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate is sourced from PubChem (CID 61102333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).