[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate

C20H22N2O4 — CID 7228166

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-14(16-6-4-3-5-7-16)12-20(25)26-13-19(24)22-18-10-8-17(9-11-18)21-15(2)23/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyDZRGGUXCDJFYKR-CQSZACIVSA-N
MW354.41 g/mol
LogP3.32
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate

[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate (PubChem CID 7228166) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
PubChem CID7228166
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-14(16-6-4-3-5-7-16)12-20(25)26-13-19(24)22-18-10-8-17(9-11-18)21-15(2)23/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyDZRGGUXCDJFYKR-CQSZACIVSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266159
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 8578956
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
CID 7265956
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
(2-anilino-2-oxoethyl) 3,3-diphenylpropanoate
CID 7795395
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227700
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670
[2-(3-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227987

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate (CID 7228166) is [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate is CC(=O)Nc1ccc(NC(=O)COC(=O)C[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate?
The InChIKey is DZRGGUXCDJFYKR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(16-6-4-3-5-7-16)12-20(25)26-13-19(24)22-18-10-8-17(9-11-18)21-15(2)23/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/t14-/m1/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate?
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate has a molecular weight of 354.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate is sourced from PubChem (CID 7228166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).