2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate

C27H25NO5 — CID 134853287

IUPAC2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCN1C(=O)C(O)=C(c2ccccc2)C1(O)Cc1ccccc1
InChIInChI=1S/C27H25NO5/c29-23(18-20-10-4-1-5-11-20)33-17-16-28-26(31)25(30)24(22-14-8-3-9-15-22)27(28,32)19-21-12-6-2-7-13-21/h1-15,30,32H,16-19H2
InChIKeyOMEDTSLQICJPCJ-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.52
Rot. Bonds8

About 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate

2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate (PubChem CID 134853287) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate.

Molecular Properties

Compound Name2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate
PubChem CID134853287
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCN1C(=O)C(O)=C(c2ccccc2)C1(O)Cc1ccccc1
InChIInChI=1S/C27H25NO5/c29-23(18-20-10-4-1-5-11-20)33-17-16-28-26(31)25(30)24(22-14-8-3-9-15-22)27(28,32)19-21-12-6-2-7-13-21/h1-15,30,32H,16-19H2
InChIKeyOMEDTSLQICJPCJ-UHFFFAOYSA-N
XLogP3.52
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[Methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7277194
2-(4-Morpholinyl)-2-oxo-1,1-diphenylethanol
CID 762749
(2-Oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate
CID 2675456
benzyl 2-hydroxy-5-oxo-3,4-diphenyl-2H-pyrrole-1-carboxylate
CID 12455288
1-(2-Hydroxy-2,2-diphenyl-acetyl)-piperidine-4-carboxylic acid ethyl ester
CID 602993
Methyl 3-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)propanoate
CID 102482864
2-Hydroxy-1-morpholin-4-yl-2,3-diphenylpropan-1-one
CID 177851461
[2-[Ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 8579176
[2-[(2-Fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 8579187
[2-[(3-Fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 45618925
N-cyclohexyl-2-hydroxy-5-oxo-3,4-diphenylfuran-2-carboxamide
CID 60090376
(E)-2,5-dibenzyl-6-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-oxohex-3-enoic acid
CID 68292869

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate?
The IUPAC name of 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate (CID 134853287) is 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate.
What is the SMILES notation for 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate?
The canonical SMILES for 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate is O=C(Cc1ccccc1)OCCN1C(=O)C(O)=C(c2ccccc2)C1(O)Cc1ccccc1.
What is the InChIKey of 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate?
The InChIKey is OMEDTSLQICJPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c29-23(18-20-10-4-1-5-11-20)33-17-16-28-26(31)25(30)24(22-14-8-3-9-15-22)27(28,32)19-21-12-6-2-7-13-21/h1-15,30,32H,16-19H2.
What are the key properties of 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate?
2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate has a molecular weight of 443.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate is sourced from PubChem (CID 134853287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).