[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate

C25H24N2O4 — CID 8610004

IUPAC[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-17-8-12-22(13-9-17)27-25(30)24(20-6-4-3-5-7-20)31-23(29)16-19-10-14-21(15-11-19)26-18(2)28/h3-15,24H,16H2,1-2H3,(H,26,28)(H,27,30)/t24-/m0/s1
InChIKeyRYLNRNQNCWRMSS-DEOSSOPVSA-N
MW416.48 g/mol
LogP4.42
Rot. Bonds7

About [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate

[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8610004) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8610004
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-17-8-12-22(13-9-17)27-25(30)24(20-6-4-3-5-7-20)31-23(29)16-19-10-14-21(15-11-19)26-18(2)28/h3-15,24H,16H2,1-2H3,(H,26,28)(H,27,30)/t24-/m0/s1
InChIKeyRYLNRNQNCWRMSS-DEOSSOPVSA-N
XLogP4.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate with MolForge

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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
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate
CID 7796632
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46659550
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 118256663
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611777
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9061147
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 2339067
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912968
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55449655
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011293

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate (CID 8610004) is [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is RYLNRNQNCWRMSS-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-8-12-22(13-9-17)27-25(30)24(20-6-4-3-5-7-20)31-23(29)16-19-10-14-21(15-11-19)26-18(2)28/h3-15,24H,16H2,1-2H3,(H,26,28)(H,27,30)/t24-/m0/s1.
What are the key properties of [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate?
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 416.48 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8610004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).