2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate

C20H23NO5 — CID 55303914

IUPAC2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCc1cccc(OCCOC(=O)CNC(=O)COc2ccccc2)c1
InChIInChI=1S/C20H23NO5/c1-2-16-7-6-10-18(13-16)24-11-12-25-20(23)14-21-19(22)15-26-17-8-4-3-5-9-17/h3-10,13H,2,11-12,14-15H2,1H3,(H,21,22)
InChIKeyHQKKDKHIFDXDLU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.37
Rot. Bonds10

About 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate

2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 55303914) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID55303914
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCc1cccc(OCCOC(=O)CNC(=O)COc2ccccc2)c1
InChIInChI=1S/C20H23NO5/c1-2-16-7-6-10-18(13-16)24-11-12-25-20(23)14-21-19(22)15-26-17-8-4-3-5-9-17/h3-10,13H,2,11-12,14-15H2,1H3,(H,21,22)
InChIKeyHQKKDKHIFDXDLU-UHFFFAOYSA-N
XLogP2.37
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate
CID 55316806
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
(3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 42979993
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427019
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-(3-ethylphenoxy)ethyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55321942
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate (CID 55303914) is 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate is CCc1cccc(OCCOC(=O)CNC(=O)COc2ccccc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is HQKKDKHIFDXDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-16-7-6-10-18(13-16)24-11-12-25-20(23)14-21-19(22)15-26-17-8-4-3-5-9-17/h3-10,13H,2,11-12,14-15H2,1H3,(H,21,22).
What are the key properties of 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate?
2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 357.41 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 55303914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).