[2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate

C17H23NO3 — CID 3968744

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate
SMILESCC(NC(=O)COC(=O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(15-9-3-2-4-10-15)18-16(19)12-21-17(20)11-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,19)
InChIKeyIJSUZLFFQQLPBG-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.99
Rot. Bonds6

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate (PubChem CID 3968744) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate
PubChem CID3968744
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate
SMILESCC(NC(=O)COC(=O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(15-9-3-2-4-10-15)18-16(19)12-21-17(20)11-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,19)
InChIKeyIJSUZLFFQQLPBG-UHFFFAOYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetate
CID 21175645
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11928577
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylsulfanylpropanoate
CID 16531163
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
CID 9139913
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 3397154
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-cyclohexylacetate
CID 42968314
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate
CID 2343770

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate (CID 3968744) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate is CC(NC(=O)COC(=O)CC1CCCC1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate?
The InChIKey is IJSUZLFFQQLPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(15-9-3-2-4-10-15)18-16(19)12-21-17(20)11-14-7-5-6-8-14/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,19).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate has a molecular weight of 289.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate is sourced from PubChem (CID 3968744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).