[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate

C19H21NO3 — CID 2354919

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
SMILESCC(C)N(C(=O)COC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(2)20(17-11-7-4-8-12-17)18(21)14-23-19(22)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3
InChIKeyMLKGVNZPMXQIAR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.21
Rot. Bonds6

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate (PubChem CID 2354919) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
PubChem CID2354919
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
SMILESCC(C)N(C(=O)COC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(2)20(17-11-7-4-8-12-17)18(21)14-23-19(22)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3
InChIKeyMLKGVNZPMXQIAR-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
CID 86777010
[2-oxo-2-(N-propan-2-ylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132820
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55317623
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate
CID 55314052
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368948
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
ethyl 2-phenylacetate
CID 7590
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705138
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 40778693
2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 110891996

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate (CID 2354919) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate is CC(C)N(C(=O)COC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate?
The InChIKey is MLKGVNZPMXQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15(2)20(17-11-7-4-8-12-17)18(21)14-23-19(22)13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate has a molecular weight of 311.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate is sourced from PubChem (CID 2354919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).