(1-acetamido-2-oxo-1-phenylethyl) benzoate

C17H15NO4 — CID 88635784

IUPAC(1-acetamido-2-oxo-1-phenylethyl) benzoate
SMILESCC(=O)NC(C=O)(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO4/c1-13(20)18-17(12-19,15-10-6-3-7-11-15)22-16(21)14-8-4-2-5-9-14/h2-12H,1H3,(H,18,20)
InChIKeyQNTRCHRIDUQIBI-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.03
Rot. Bonds5

About (1-acetamido-2-oxo-1-phenylethyl) benzoate

(1-acetamido-2-oxo-1-phenylethyl) benzoate (PubChem CID 88635784) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (1-acetamido-2-oxo-1-phenylethyl) benzoate.

Molecular Properties

Compound Name(1-acetamido-2-oxo-1-phenylethyl) benzoate
PubChem CID88635784
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(1-acetamido-2-oxo-1-phenylethyl) benzoate
SMILESCC(=O)NC(C=O)(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO4/c1-13(20)18-17(12-19,15-10-6-3-7-11-15)22-16(21)14-8-4-2-5-9-14/h2-12H,1H3,(H,18,20)
InChIKeyQNTRCHRIDUQIBI-UHFFFAOYSA-N
XLogP2.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(benzyloxy)-3,3,3-trifluoro-N-(phenylcarbonyl)alaninate
CID 2728966
Ethyl 3-benzamido-2-oxo-6-phenyl-2H-pyran-5-carboxylate
CID 2763609
[2-(Tert-butylamino)-2-oxo-1-phenylethyl] benzoate
CID 102255833
2-Benzoylamino-3,3,3-trifluoro-2-(4-fluoro-benzyloxy)-propionic acid ethyl ester
CID 2728967
[(3S)-2-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butyl] benzoate
CID 15017769
N-(4-methyl-2-oxo-6-phenyl-2H-pyran-3-yl)benzenecarboxamide
CID 391942
Methyl 3-(2-benzamido-3-ethoxy-3-oxopropyl)benzoate
CID 2801513
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide
CID 2817603
[(3S)-3-[[(2S)-2-[[(2S)-2-benzamido-3-methylbutanoyl]amino]propanoyl]amino]-2-oxoheptyl] benzoate
CID 44386607
[(1S)-1-phenylethyl] 2-benzamidoacetate
CID 90680479
[2-(Tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl] benzoate
CID 171353858
N-[2-oxo-2-phenyl-1-(phenylmethoxy)ethyl]benzamide
CID 4279448

Frequently Asked Questions

What is the IUPAC name of (1-acetamido-2-oxo-1-phenylethyl) benzoate?
The IUPAC name of (1-acetamido-2-oxo-1-phenylethyl) benzoate (CID 88635784) is (1-acetamido-2-oxo-1-phenylethyl) benzoate.
What is the SMILES notation for (1-acetamido-2-oxo-1-phenylethyl) benzoate?
The canonical SMILES for (1-acetamido-2-oxo-1-phenylethyl) benzoate is CC(=O)NC(C=O)(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-acetamido-2-oxo-1-phenylethyl) benzoate?
The InChIKey is QNTRCHRIDUQIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-13(20)18-17(12-19,15-10-6-3-7-11-15)22-16(21)14-8-4-2-5-9-14/h2-12H,1H3,(H,18,20).
What are the key properties of (1-acetamido-2-oxo-1-phenylethyl) benzoate?
(1-acetamido-2-oxo-1-phenylethyl) benzoate has a molecular weight of 297.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetamido-2-oxo-1-phenylethyl) benzoate is sourced from PubChem (CID 88635784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).