[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate

C24H22N2O4 — CID 8578956

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O4/c1-17(27)25-20-12-14-21(15-13-20)26-22(28)16-30-24(29)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNKNYAGTWPZDLLC-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.96
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 8578956) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID8578956
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O4/c1-17(27)25-20-12-14-21(15-13-20)26-22(28)16-30-24(29)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNKNYAGTWPZDLLC-UHFFFAOYSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 8578945
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749895
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927755
[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 2520789
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate (CID 8578956) is [2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate is CC(=O)Nc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is NKNYAGTWPZDLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-17(27)25-20-12-14-21(15-13-20)26-22(28)16-30-24(29)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 402.45 g/mol, XLogP of 3.96, 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] 2,2-diphenylacetate is sourced from PubChem (CID 8578956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).