[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate

C20H23NO4 — CID 2385789

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C20H23NO4/c1-14(2)17-11-7-8-12-18(17)21-19(22)13-24-20(23)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyCZVPJQABFACELO-HNNXBMFYSA-N
MW341.41 g/mol
LogP3.76
Rot. Bonds7

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate (PubChem CID 2385789) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate
PubChem CID2385789
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C20H23NO4/c1-14(2)17-11-7-8-12-18(17)21-19(22)13-24-20(23)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyCZVPJQABFACELO-HNNXBMFYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833478
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834198
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872987
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-propan-2-yloxybenzoate
CID 2112543
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833735
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806692
2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791367
[2-(2,6-difluoroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833703
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 4050676

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate (CID 2385789) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate is CC(C)c1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate?
The InChIKey is CZVPJQABFACELO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)17-11-7-8-12-18(17)21-19(22)13-24-20(23)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate has a molecular weight of 341.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenoxypropanoate is sourced from PubChem (CID 2385789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).