[2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate

C26H21NO5 — CID 2340919

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C26H21NO5/c28-22(24-16-20-13-7-8-14-23(20)32-24)17-31-26(30)21(15-18-9-3-1-4-10-18)27-25(29)19-11-5-2-6-12-19/h1-14,16,21H,15,17H2,(H,27,29)/t21-/m0/s1
InChIKeyOWIPXPTXDMTDTJ-NRFANRHFSA-N
MW427.46 g/mol
LogP4.20
Rot. Bonds8

About [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate

[2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate (PubChem CID 2340919) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
PubChem CID2340919
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C26H21NO5/c28-22(24-16-20-13-7-8-14-23(20)32-24)17-31-26(30)21(15-18-9-3-1-4-10-18)27-25(29)19-11-5-2-6-12-19/h1-14,16,21H,15,17H2,(H,27,29)/t21-/m0/s1
InChIKeyOWIPXPTXDMTDTJ-NRFANRHFSA-N
XLogP4.20
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate with MolForge

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Related Compounds

phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 55398886
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
methyl (2S)-2-(1-benzofuran-2-carbonylamino)-3-(4-methoxyphenyl)propanoate
CID 86655478
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 42970439
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472
methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 39968914
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582572
[2-(N-methylanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 4148550

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate (CID 2340919) is [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate is O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
The InChIKey is OWIPXPTXDMTDTJ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H21NO5/c28-22(24-16-20-13-7-8-14-23(20)32-24)17-31-26(30)21(15-18-9-3-1-4-10-18)27-25(29)19-11-5-2-6-12-19/h1-14,16,21H,15,17H2,(H,27,29)/t21-/m0/s1.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate has a molecular weight of 427.46 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 2340919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).