[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate

C25H23NO5 — CID 8011293

IUPAC[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(27)20-9-6-10-21(16-20)26-25(29)24(19-7-4-3-5-8-19)31-23(28)15-18-11-13-22(30-2)14-12-18/h3-14,16,24H,15H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyRYFKFSHPWHKXEU-DEOSSOPVSA-N
MW417.46 g/mol
LogP4.36
Rot. Bonds8

About [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate

[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 8011293) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
PubChem CID8011293
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(27)20-9-6-10-21(16-20)26-25(29)24(19-7-4-3-5-8-19)31-23(28)15-18-11-13-22(30-2)14-12-18/h3-14,16,24H,15H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyRYFKFSHPWHKXEU-DEOSSOPVSA-N
XLogP4.36
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methylphenyl)acetate
CID 46645502
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011333
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 118256663
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7980213
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] pentanoate
CID 16540185
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
CID 2590287
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylacetate
CID 7828500
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate
CID 8661214
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2407466

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate (CID 8011293) is [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)O[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is RYFKFSHPWHKXEU-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H23NO5/c1-17(27)20-9-6-10-21(16-20)26-25(29)24(19-7-4-3-5-8-19)31-23(28)15-18-11-13-22(30-2)14-12-18/h3-14,16,24H,15H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate?
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 417.46 g/mol, XLogP of 4.36, 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-(4-methoxyphenyl)acetate is sourced from PubChem (CID 8011293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).