[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate

C24H23NO5 — CID 4145246

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO5/c1-28-19-13-14-21(29-2)20(15-19)25-22(26)16-30-24(27)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,16H2,1-2H3,(H,25,26)
InChIKeyHDJIVSIBZPWCCE-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.02
Rot. Bonds8

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 4145246) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID4145246
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO5/c1-28-19-13-14-21(29-2)20(15-19)25-22(26)16-30-24(27)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,16H2,1-2H3,(H,25,26)
InChIKeyHDJIVSIBZPWCCE-UHFFFAOYSA-N
XLogP4.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate 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-(2,5-dimethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791367
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzamido-3-hydroxypropanoate
CID 55884813
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 8730102
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523973
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266073

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate (CID 4145246) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate is COc1ccc(OC)c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is HDJIVSIBZPWCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-19-13-14-21(29-2)20(15-19)25-22(26)16-30-24(27)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,16H2,1-2H3,(H,25,26).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 405.45 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 4145246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).