[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate

C21H22N2O4 — CID 8020094

IUPAC[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O4/c24-19(14-27-21(26)15-8-4-5-9-15)23-18-13-7-6-12-17(18)20(25)22-16-10-2-1-3-11-16/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,22,25)(H,23,24)
InChIKeyGRJRJHBNDVOJOY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.61
Rot. Bonds6

About [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate (PubChem CID 8020094) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate
PubChem CID8020094
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O4/c24-19(14-27-21(26)15-8-4-5-9-15)23-18-13-7-6-12-17(18)20(25)22-16-10-2-1-3-11-16/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,22,25)(H,23,24)
InChIKeyGRJRJHBNDVOJOY-UHFFFAOYSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
CID 8019936
[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495206
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
CID 7265956
trans-[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230641
[2-(2-benzoylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932093
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010395
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 41080941
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-(4-methoxyphenyl)acetate
CID 8011578
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932422

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate?
The IUPAC name of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate (CID 8020094) is [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate is O=C(COC(=O)C1CCCC1)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate?
The InChIKey is GRJRJHBNDVOJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-19(14-27-21(26)15-8-4-5-9-15)23-18-13-7-6-12-17(18)20(25)22-16-10-2-1-3-11-16/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,22,25)(H,23,24).
What are the key properties of [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate?
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate has a molecular weight of 366.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate is sourced from PubChem (CID 8020094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).