[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate

C20H21NO4 — CID 7654441

IUPAC[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCc2ccccc2)c1
InChIInChI=1S/C20H21NO4/c1-14(22)17-9-6-10-18(13-17)21-20(24)15(2)25-19(23)12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyJTNASUHVHYLBKZ-OAHLLOKOSA-N
MW339.39 g/mol
LogP3.39
Rot. Bonds7

About [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate (PubChem CID 7654441) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate.

Molecular Properties

Compound Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
PubChem CID7654441
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCc2ccccc2)c1
InChIInChI=1S/C20H21NO4/c1-14(22)17-9-6-10-18(13-17)21-20(24)15(2)25-19(23)12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyJTNASUHVHYLBKZ-OAHLLOKOSA-N
XLogP3.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 46814821
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7847996
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 55441354
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790319
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524359
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227088
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 29486179
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553372
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 46790161
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylacetate
CID 7828500

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate?
The IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate (CID 7654441) is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate.
What is the SMILES notation for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate?
The canonical SMILES for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate is CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCc2ccccc2)c1.
What is the InChIKey of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate?
The InChIKey is JTNASUHVHYLBKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14(22)17-9-6-10-18(13-17)21-20(24)15(2)25-19(23)12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate?
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate has a molecular weight of 339.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate is sourced from PubChem (CID 7654441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).