ethyl 2-(propanoylamino)benzoate

C12H15NO3 — CID 4190428

IUPACethyl 2-(propanoylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CC
InChIInChI=1S/C12H15NO3/c1-3-11(14)13-10-8-6-5-7-9(10)12(15)16-4-2/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyQXGUNUGFJISHOL-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.21
Rot. Bonds4

About ethyl 2-(propanoylamino)benzoate

ethyl 2-(propanoylamino)benzoate (PubChem CID 4190428) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-(propanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(propanoylamino)benzoate
PubChem CID4190428
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 2-(propanoylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CC
InChIInChI=1S/C12H15NO3/c1-3-11(14)13-10-8-6-5-7-9(10)12(15)16-4-2/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyQXGUNUGFJISHOL-UHFFFAOYSA-N
XLogP2.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(propanoylamino)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-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
CID 113001765
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-(5-bromopentanoylamino)benzoate
CID 103601672
ethyl 2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]benzoate
CID 8760106
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
methyl 2-[[3-(2-ethoxycarbonylanilino)-3-oxopropyl]amino]benzoate
CID 109041371
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate
CID 1218310

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propanoylamino)benzoate?
The IUPAC name of ethyl 2-(propanoylamino)benzoate (CID 4190428) is ethyl 2-(propanoylamino)benzoate.
What is the SMILES notation for ethyl 2-(propanoylamino)benzoate?
The canonical SMILES for ethyl 2-(propanoylamino)benzoate is CCOC(=O)c1ccccc1NC(=O)CC.
What is the InChIKey of ethyl 2-(propanoylamino)benzoate?
The InChIKey is QXGUNUGFJISHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-11(14)13-10-8-6-5-7-9(10)12(15)16-4-2/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-(propanoylamino)benzoate?
ethyl 2-(propanoylamino)benzoate has a molecular weight of 221.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propanoylamino)benzoate is sourced from PubChem (CID 4190428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).