ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate

C18H17NO5 — CID 66489078

IUPACethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2cccc(C=O)c2)cc1
InChIInChI=1S/C18H17NO5/c1-2-23-18(22)14-6-8-15(9-7-14)19-17(21)12-24-16-5-3-4-13(10-16)11-20/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyLMGPATDSEJULCZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.69
Rot. Bonds7

About ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate

ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate (PubChem CID 66489078) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
PubChem CID66489078
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Nameethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2cccc(C=O)c2)cc1
InChIInChI=1S/C18H17NO5/c1-2-23-18(22)14-6-8-15(9-7-14)19-17(21)12-24-16-5-3-4-13(10-16)11-20/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyLMGPATDSEJULCZ-UHFFFAOYSA-N
XLogP2.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[[2-(3-formylphenoxy)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

ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676
ethyl 4-[[2-(3-nitrophenoxy)acetyl]amino]benzoate
CID 7865514
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
CID 2989004
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate
CID 15008323
2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate
CID 19177259
diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961513
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
ethyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 3337210

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate (CID 66489078) is ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2cccc(C=O)c2)cc1.
What is the InChIKey of ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate?
The InChIKey is LMGPATDSEJULCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-2-23-18(22)14-6-8-15(9-7-14)19-17(21)12-24-16-5-3-4-13(10-16)11-20/h3-11H,2,12H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate?
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate has a molecular weight of 327.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 66489078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).