ethyl 3-anilino-3-oxo-2-phenylpropanoate

C17H17NO3 — CID 10062364

IUPACethyl 3-anilino-3-oxo-2-phenylpropanoate
SMILESCCOC(=O)C(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)16(19)18-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19)
InChIKeyPOGKVYIGKVNQQF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds5

About ethyl 3-anilino-3-oxo-2-phenylpropanoate

ethyl 3-anilino-3-oxo-2-phenylpropanoate (PubChem CID 10062364) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 3-anilino-3-oxo-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-anilino-3-oxo-2-phenylpropanoate
PubChem CID10062364
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 3-anilino-3-oxo-2-phenylpropanoate
SMILESCCOC(=O)C(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)16(19)18-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19)
InChIKeyPOGKVYIGKVNQQF-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(hydroxyamino)-3-oxo-2-phenylpropanoate
CID 10775444
3-ethoxy-3-oxo-2-phenylpropanoic acid;hydrochloride
CID 70417854
ethyl 3-oxo-2-phenylpentanoate
CID 57306037
diethyl 3-oxo-2-phenylpentanedioate
CID 22022915
ethyl 3-anilino-2-cyano-3-oxopropanoate
CID 15707517
diethyl (3R)-2-oxo-3-phenylbutanedioate
CID 51381093
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
benzyl (2R)-3-(4-chloroanilino)-3-oxo-2-phenylpropanoate
CID 6975658
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
CID 102002334
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilino-3-oxo-2-phenylpropanoate?
The IUPAC name of ethyl 3-anilino-3-oxo-2-phenylpropanoate (CID 10062364) is ethyl 3-anilino-3-oxo-2-phenylpropanoate.
What is the SMILES notation for ethyl 3-anilino-3-oxo-2-phenylpropanoate?
The canonical SMILES for ethyl 3-anilino-3-oxo-2-phenylpropanoate is CCOC(=O)C(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-anilino-3-oxo-2-phenylpropanoate?
The InChIKey is POGKVYIGKVNQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-21-17(20)15(13-9-5-3-6-10-13)16(19)18-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19).
What are the key properties of ethyl 3-anilino-3-oxo-2-phenylpropanoate?
ethyl 3-anilino-3-oxo-2-phenylpropanoate has a molecular weight of 283.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilino-3-oxo-2-phenylpropanoate is sourced from PubChem (CID 10062364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).