ethyl 2-(2-anilino-2-oxoethyl)benzoate

C17H17NO3 — CID 23621943

IUPACethyl 2-(2-anilino-2-oxoethyl)benzoate
SMILESCCOC(=O)c1ccccc1CC(=O)Nc1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)15-11-7-6-8-13(15)12-16(19)18-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyAYAJYXLEQORZDH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds5

About ethyl 2-(2-anilino-2-oxoethyl)benzoate

ethyl 2-(2-anilino-2-oxoethyl)benzoate (PubChem CID 23621943) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 2-(2-anilino-2-oxoethyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(2-anilino-2-oxoethyl)benzoate
PubChem CID23621943
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-(2-anilino-2-oxoethyl)benzoate
SMILESCCOC(=O)c1ccccc1CC(=O)Nc1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)15-11-7-6-8-13(15)12-16(19)18-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyAYAJYXLEQORZDH-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
diethyl 2,5-bis[2-(4-aminoanilino)-2-oxoethyl]benzene-1,4-dicarboxylate
CID 139699708
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
ethyl 3-anilino-3-oxopropanoate
CID 3016808
ethyl 2-(2-bromoprop-2-enyl)benzoate
CID 24721796
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate
CID 113157108
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 23825338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-anilino-2-oxoethyl)benzoate?
The IUPAC name of ethyl 2-(2-anilino-2-oxoethyl)benzoate (CID 23621943) is ethyl 2-(2-anilino-2-oxoethyl)benzoate.
What is the SMILES notation for ethyl 2-(2-anilino-2-oxoethyl)benzoate?
The canonical SMILES for ethyl 2-(2-anilino-2-oxoethyl)benzoate is CCOC(=O)c1ccccc1CC(=O)Nc1ccccc1.
What is the InChIKey of ethyl 2-(2-anilino-2-oxoethyl)benzoate?
The InChIKey is AYAJYXLEQORZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-21-17(20)15-11-7-6-8-13(15)12-16(19)18-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of ethyl 2-(2-anilino-2-oxoethyl)benzoate?
ethyl 2-(2-anilino-2-oxoethyl)benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-anilino-2-oxoethyl)benzoate is sourced from PubChem (CID 23621943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).