[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate

C19H21NO4 — CID 7980214

IUPAC[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)COc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-15-9-11-16(12-10-15)20-19(22)14(2)24-18(21)13-23-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyDVYUJPCNNJAROZ-CQSZACIVSA-N
MW327.38 g/mol
LogP3.20
Rot. Bonds7

About [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate (PubChem CID 7980214) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
PubChem CID7980214
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)COc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-15-9-11-16(12-10-15)20-19(22)14(2)24-18(21)13-23-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyDVYUJPCNNJAROZ-CQSZACIVSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
CID 7844674
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842322
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
CID 18273755
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 7788780
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855492
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8523244
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate
CID 8709124
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7865624
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 2594631
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate
CID 8733496
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821299

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate?
The IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate (CID 7980214) is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate.
What is the SMILES notation for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate?
The canonical SMILES for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate is CCc1ccc(NC(=O)[C@@H](C)OC(=O)COc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate?
The InChIKey is DVYUJPCNNJAROZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-15-9-11-16(12-10-15)20-19(22)14(2)24-18(21)13-23-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate?
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate has a molecular weight of 327.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate is sourced from PubChem (CID 7980214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).