[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate

C26H27NO7 — CID 42979686

IUPAC[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
SMILESCOc1cc(NC(=O)COC(=O)c2ccccc2OCc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C26H27NO7/c1-17-8-7-9-18(12-17)15-33-21-11-6-5-10-20(21)26(29)34-16-24(28)27-19-13-22(30-2)25(32-4)23(14-19)31-3/h5-14H,15-16H2,1-4H3,(H,27,28)
InChIKeyCJCOVMCWOVFKOT-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.40
Rot. Bonds10

About [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate (PubChem CID 42979686) has the molecular formula C26H27NO7 and a molecular weight of 465.50 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
PubChem CID42979686
Molecular FormulaC26H27NO7
Molecular Weight465.50 g/mol
Exact Mass465.18
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
SMILESCOc1cc(NC(=O)COC(=O)c2ccccc2OCc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C26H27NO7/c1-17-8-7-9-18(12-17)15-33-21-11-6-5-10-20(21)26(29)34-16-24(28)27-19-13-22(30-2)25(32-4)23(14-19)31-3/h5-14H,15-16H2,1-4H3,(H,27,28)
InChIKeyCJCOVMCWOVFKOT-UHFFFAOYSA-N
XLogP4.40
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate 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-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16593967
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16556425
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7399136
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 2500439
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 40960600
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715032
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771214
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771212
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771198
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
CID 2525027

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate (CID 42979686) is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate is COc1cc(NC(=O)COC(=O)c2ccccc2OCc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate?
The InChIKey is CJCOVMCWOVFKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO7/c1-17-8-7-9-18(12-17)15-33-21-11-6-5-10-20(21)26(29)34-16-24(28)27-19-13-22(30-2)25(32-4)23(14-19)31-3/h5-14H,15-16H2,1-4H3,(H,27,28).
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate?
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate has a molecular weight of 465.50 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 42979686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).