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

C23H20N2O4 — CID 2356416

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O4/c24-23(28)19-10-12-20(13-11-19)25-21(26)15-29-22(27)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,24,28)(H,25,26)
InChIKeyWEEXQDKSERZPEX-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.18
Rot. Bonds7

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

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate (PubChem CID 2356416) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
PubChem CID2356416
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O4/c24-23(28)19-10-12-20(13-11-19)25-21(26)15-29-22(27)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,24,28)(H,25,26)
InChIKeyWEEXQDKSERZPEX-UHFFFAOYSA-N
XLogP3.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate (CID 2356416) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate is NC(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is WEEXQDKSERZPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c24-23(28)19-10-12-20(13-11-19)25-21(26)15-29-22(27)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13H,14-15H2,(H2,24,28)(H,25,26).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 388.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 2356416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).