propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate

C20H23NO4 — CID 2274683

IUPACpropyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-13-24-20(23)16-7-9-17(10-8-16)21-19(22)14-25-18-11-5-15(4-2)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyHBGWYUUQDUVEHC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.83
Rot. Bonds8

About propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate

propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate (PubChem CID 2274683) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
PubChem CID2274683
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-13-24-20(23)16-7-9-17(10-8-16)21-19(22)14-25-18-11-5-15(4-2)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyHBGWYUUQDUVEHC-UHFFFAOYSA-N
XLogP3.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate 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

propyl 4-[[2-(4-nitrophenoxy)acetyl]amino]benzoate
CID 4501659
butyl 4-[4-(4-ethylphenoxy)butanoylamino]benzoate
CID 19173521
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7984519
butyl 4-[2-[4-(dimethylamino)anilino]-2-oxoethoxy]benzoate
CID 7762125
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 8503993
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate (CID 2274683) is propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)COc2ccc(CC)cc2)cc1.
What is the InChIKey of propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate?
The InChIKey is HBGWYUUQDUVEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-13-24-20(23)16-7-9-17(10-8-16)21-19(22)14-25-18-11-5-15(4-2)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,22).
What are the key properties of propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate?
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 2274683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).