[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate

C24H23NO6 — CID 2590287

IUPAC[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)O[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO6/c1-28-19-11-13-20(14-12-19)30-16-22(26)31-23(17-7-4-3-5-8-17)24(27)25-18-9-6-10-21(15-18)29-2/h3-15,23H,16H2,1-2H3,(H,25,27)/t23-/m1/s1
InChIKeyWCEHMNBKPBVGHG-HSZRJFAPSA-N
MW421.45 g/mol
LogP4.01
Rot. Bonds9

About [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 2590287) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID2590287
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)O[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO6/c1-28-19-11-13-20(14-12-19)30-16-22(26)31-23(17-7-4-3-5-8-17)24(27)25-18-9-6-10-21(15-18)29-2/h3-15,23H,16H2,1-2H3,(H,25,27)/t23-/m1/s1
InChIKeyWCEHMNBKPBVGHG-HSZRJFAPSA-N
XLogP4.01
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)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

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912825
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7980213
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)acetate
CID 8661214
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)acetate
CID 8011293
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 7981048
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate
CID 55323062
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 18225273
[(1R)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(4-chlorophenoxy)acetate
CID 2496297
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methoxynaphthalene-2-carboxylate
CID 4104730

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate (CID 2590287) is [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)O[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is WCEHMNBKPBVGHG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H23NO6/c1-28-19-11-13-20(14-12-19)30-16-22(26)31-23(17-7-4-3-5-8-17)24(27)25-18-9-6-10-21(15-18)29-2/h3-15,23H,16H2,1-2H3,(H,25,27)/t23-/m1/s1.
What are the key properties of [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate?
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 421.45 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2590287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).