[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate

C24H21NO5 — CID 7980213

IUPAC[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](OC(=O)COc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H21NO5/c1-17(26)19-11-8-12-20(15-19)25-24(28)23(18-9-4-2-5-10-18)30-22(27)16-29-21-13-6-3-7-14-21/h2-15,23H,16H2,1H3,(H,25,28)/t23-/m0/s1
InChIKeyKEMDZELDUVBACE-QHCPKHFHSA-N
MW403.43 g/mol
LogP4.19
Rot. Bonds8

About [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate

[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate (PubChem CID 7980213) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
PubChem CID7980213
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](OC(=O)COc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H21NO5/c1-17(26)19-11-8-12-20(15-19)25-24(28)23(18-9-4-2-5-10-18)30-22(27)16-29-21-13-6-3-7-14-21/h2-15,23H,16H2,1H3,(H,25,28)/t23-/m0/s1
InChIKeyKEMDZELDUVBACE-QHCPKHFHSA-N
XLogP4.19
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] pentanoate
CID 16540185
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011293
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912825
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 7853365
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
CID 7789739
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 9325873
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7902922
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 2342428
[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate
CID 2496297
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 16528316

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate?
The IUPAC name of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate (CID 7980213) is [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate.
What is the SMILES notation for [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate?
The canonical SMILES for [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate is CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)COc2ccccc2)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate?
The InChIKey is KEMDZELDUVBACE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21NO5/c1-17(26)19-11-8-12-20(15-19)25-24(28)23(18-9-4-2-5-10-18)30-22(27)16-29-21-13-6-3-7-14-21/h2-15,23H,16H2,1H3,(H,25,28)/t23-/m0/s1.
What are the key properties of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate?
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate has a molecular weight of 403.43 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate is sourced from PubChem (CID 7980213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).