[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate

C25H24N2O4 — CID 7704331

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-27(2)25(30)21-12-14-22(15-13-21)26-23(28)17-31-24(29)16-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyWFVJLDRJRVDAML-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.78
Rot. Bonds7

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate (PubChem CID 7704331) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
PubChem CID7704331
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O4/c1-27(2)25(30)21-12-14-22(15-13-21)26-23(28)17-31-24(29)16-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyWFVJLDRJRVDAML-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate 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-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672080
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 7043065
[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-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854675
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate (CID 7704331) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate is CN(C)C(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is WFVJLDRJRVDAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-27(2)25(30)21-12-14-22(15-13-21)26-23(28)17-31-24(29)16-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,26,28).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 416.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 7704331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).