ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate

C17H18N2O3 — CID 28712736

IUPACethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccccc1N
InChIInChI=1S/C17H18N2O3/c1-2-22-17(21)13-8-4-6-10-15(13)19-16(20)11-12-7-3-5-9-14(12)18/h3-10H,2,11,18H2,1H3,(H,19,20)
InChIKeyXSRGSLHFWKDBSS-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.63
Rot. Bonds5

About ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate

ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate (PubChem CID 28712736) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
PubChem CID28712736
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1ccccc1N
InChIInChI=1S/C17H18N2O3/c1-2-22-17(21)13-8-4-6-10-15(13)19-16(20)11-12-7-3-5-9-14(12)18/h3-10H,2,11,18H2,1H3,(H,19,20)
InChIKeyXSRGSLHFWKDBSS-UHFFFAOYSA-N
XLogP2.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2669314
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
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ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
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methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate (CID 28712736) is ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1N.
What is the InChIKey of ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate?
The InChIKey is XSRGSLHFWKDBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-22-17(21)13-8-4-6-10-15(13)19-16(20)11-12-7-3-5-9-14(12)18/h3-10H,2,11,18H2,1H3,(H,19,20).
What are the key properties of ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate?
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate has a molecular weight of 298.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate is sourced from PubChem (CID 28712736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).