[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate

C26H27NO6 — CID 46603193

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OC(C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1
InChIInChI=1S/C26H27NO6/c1-17-10-15-23(31-4)22(16-17)27-25(28)24(19-8-6-5-7-9-19)33-26(29)18(2)32-21-13-11-20(30-3)12-14-21/h5-16,18,24H,1-4H3,(H,27,28)
InChIKeyVJHLQUULAXZOCG-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.70
Rot. Bonds9

About [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate (PubChem CID 46603193) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate
PubChem CID46603193
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OC(C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1
InChIInChI=1S/C26H27NO6/c1-17-10-15-23(31-4)22(16-17)27-25(28)24(19-8-6-5-7-9-19)33-26(29)18(2)32-21-13-11-20(30-3)12-14-21/h5-16,18,24H,1-4H3,(H,27,28)
InChIKeyVJHLQUULAXZOCG-UHFFFAOYSA-N
XLogP4.70
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate 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

(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 2632132
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
CID 41098079
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 2507805
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-4-methylbenzoate
CID 42966348
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-2-phenylpropanoate
CID 7984559
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 3600454
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate (CID 46603193) is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate is COc1ccc(OC(C)C(=O)OC(C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate?
The InChIKey is VJHLQUULAXZOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO6/c1-17-10-15-23(31-4)22(16-17)27-25(28)24(19-8-6-5-7-9-19)33-26(29)18(2)32-21-13-11-20(30-3)12-14-21/h5-16,18,24H,1-4H3,(H,27,28).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate?
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate has a molecular weight of 449.50 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 46603193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).