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

C19H22N2O3 — CID 108999964

IUPACethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNCCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-19(23)16-10-6-7-11-17(16)21-18(22)14-20-13-12-15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3,(H,21,22)
InChIKeyCZKBJCJIXGLGPC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.63
Rot. Bonds8

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

ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate (PubChem CID 108999964) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
PubChem CID108999964
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNCCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-19(23)16-10-6-7-11-17(16)21-18(22)14-20-13-12-15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3,(H,21,22)
InChIKeyCZKBJCJIXGLGPC-UHFFFAOYSA-N
XLogP2.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[[2-(2-phenylethylamino)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 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[3-oxo-3-(2-phenylethylamino)propyl]amino]benzoate
CID 109024225
ethyl 2-[[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948749
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119676959
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
CID 113001765
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]sulfanylacetate
CID 8594862
ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109284014
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate (CID 108999964) is ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNCCc1ccccc1.
What is the InChIKey of ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate?
The InChIKey is CZKBJCJIXGLGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-19(23)16-10-6-7-11-17(16)21-18(22)14-20-13-12-15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate?
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate is sourced from PubChem (CID 108999964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).