ethyl 3-benzamido-2-oxo-3-phenylpropanoate

C18H17NO4 — CID 11809094

IUPACethyl 3-benzamido-2-oxo-3-phenylpropanoate
SMILESCCOC(=O)C(=O)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-2-23-18(22)16(20)15(13-9-5-3-6-10-13)19-17(21)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,21)
InChIKeyWMZZOLWIFXPWPZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.29
Rot. Bonds6

About ethyl 3-benzamido-2-oxo-3-phenylpropanoate

ethyl 3-benzamido-2-oxo-3-phenylpropanoate (PubChem CID 11809094) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 3-benzamido-2-oxo-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-benzamido-2-oxo-3-phenylpropanoate
PubChem CID11809094
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 3-benzamido-2-oxo-3-phenylpropanoate
SMILESCCOC(=O)C(=O)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-2-23-18(22)16(20)15(13-9-5-3-6-10-13)19-17(21)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,21)
InChIKeyWMZZOLWIFXPWPZ-UHFFFAOYSA-N
XLogP2.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-oxohexan-3-yl 2-benzamido-2-phenylacetate
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ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
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ethyl 2-[(ethanethioylamino)-phenylmethyl]-3-methylbut-2-enoate;methane
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N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
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diethyl (3R)-2-oxo-3-phenylbutanedioate
CID 51381093
ethyl (3S)-3-chloro-2-oxo-3-phenylpropanoate
CID 86312863
N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
CID 51308652
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540
ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
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N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide
CID 11350883

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzamido-2-oxo-3-phenylpropanoate?
The IUPAC name of ethyl 3-benzamido-2-oxo-3-phenylpropanoate (CID 11809094) is ethyl 3-benzamido-2-oxo-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-benzamido-2-oxo-3-phenylpropanoate?
The canonical SMILES for ethyl 3-benzamido-2-oxo-3-phenylpropanoate is CCOC(=O)C(=O)C(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-benzamido-2-oxo-3-phenylpropanoate?
The InChIKey is WMZZOLWIFXPWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-23-18(22)16(20)15(13-9-5-3-6-10-13)19-17(21)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,21).
What are the key properties of ethyl 3-benzamido-2-oxo-3-phenylpropanoate?
ethyl 3-benzamido-2-oxo-3-phenylpropanoate has a molecular weight of 311.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzamido-2-oxo-3-phenylpropanoate is sourced from PubChem (CID 11809094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).