[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate

C24H21NO4 — CID 2369177

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H21NO4/c1-17(26)19-11-13-22(14-12-19)25-23(27)16-29-24(28)15-18-7-9-21(10-8-18)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyJLNAPSXCZIDZTB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.28
Rot. Bonds7

About [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate

[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate (PubChem CID 2369177) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
PubChem CID2369177
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H21NO4/c1-17(26)19-11-13-22(14-12-19)25-23(27)16-29-24(28)15-18-7-9-21(10-8-18)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyJLNAPSXCZIDZTB-UHFFFAOYSA-N
XLogP4.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 4803020
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854675
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703794

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate (CID 2369177) is [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate is CC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is JLNAPSXCZIDZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-17(26)19-11-13-22(14-12-19)25-23(27)16-29-24(28)15-18-7-9-21(10-8-18)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,25,27).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 387.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 2369177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).