[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate

C20H21NO3 — CID 8019936

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H21NO3/c22-19(14-24-20(23)16-10-4-5-11-16)21-18-13-7-6-12-17(18)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,21,22)
InChIKeyLGGBOCLJQLSWOL-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.03
Rot. Bonds5

About [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate

[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate (PubChem CID 8019936) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
PubChem CID8019936
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H21NO3/c22-19(14-24-20(23)16-10-4-5-11-16)21-18-13-7-6-12-17(18)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,21,22)
InChIKeyLGGBOCLJQLSWOL-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495206
trans-[2-oxo-2-(2-phenylanilino)ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019795
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate
CID 8020094
[2-oxo-2-(2-phenylanilino)ethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 51518213
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
ethyl (3S)-1-[2-oxo-2-(2-phenylanilino)ethyl]piperidine-3-carboxylate
CID 8533241
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717374
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate
CID 7848060
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 23908442
[2-oxo-2-(2-propan-2-ylanilino)ethyl] cyclopropanecarboxylate
CID 2488778

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate (CID 8019936) is [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate is O=C(COC(=O)C1CCCC1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate?
The InChIKey is LGGBOCLJQLSWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19(14-24-20(23)16-10-4-5-11-16)21-18-13-7-6-12-17(18)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,21,22).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate?
[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate has a molecular weight of 323.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate is sourced from PubChem (CID 8019936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).