[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate

C19H21NO5 — CID 8709124

IUPAC[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate
SMILESCCOCC(=O)O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c1-3-23-13-18(21)24-14(2)19(22)20-15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyNAUNIHMQHOBPQO-AWEZNQCLSA-N
MW343.38 g/mol
LogP3.39
Rot. Bonds8

About [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate

[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate (PubChem CID 8709124) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate
PubChem CID8709124
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate
SMILESCCOCC(=O)O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c1-3-23-13-18(21)24-14(2)19(22)20-15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyNAUNIHMQHOBPQO-AWEZNQCLSA-N
XLogP3.39
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate
CID 2445348
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 8671911
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 16543759
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-ethoxyacetate
CID 18286188
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-hydroxybenzoate
CID 2394055
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003493

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate?
The IUPAC name of [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate (CID 8709124) is [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate.
What is the SMILES notation for [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate?
The canonical SMILES for [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate is CCOCC(=O)O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate?
The InChIKey is NAUNIHMQHOBPQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-23-13-18(21)24-14(2)19(22)20-15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate?
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate has a molecular weight of 343.38 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate is sourced from PubChem (CID 8709124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).