[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate

C25H24N2O7 — CID 2525027

IUPAC[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O7/c1-31-20-13-17(14-21(32-2)23(20)33-3)26-22(28)15-34-25(30)18-11-7-8-12-19(18)27-24(29)16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyYDOZWFJLUVKGSF-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.76
Rot. Bonds9

About [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate (PubChem CID 2525027) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
PubChem CID2525027
Molecular FormulaC25H24N2O7
Molecular Weight464.47 g/mol
Exact Mass464.16
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O7/c1-31-20-13-17(14-21(32-2)23(20)33-3)26-22(28)15-34-25(30)18-11-7-8-12-19(18)27-24(29)16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyYDOZWFJLUVKGSF-UHFFFAOYSA-N
XLogP3.76
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 40960600
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 42979686
[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,5-dichlorobenzoate
CID 2487542
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate (CID 2525027) is [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate is COc1cc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate?
The InChIKey is YDOZWFJLUVKGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7/c1-31-20-13-17(14-21(32-2)23(20)33-3)26-22(28)15-34-25(30)18-11-7-8-12-19(18)27-24(29)16-9-5-4-6-10-16/h4-14H,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate?
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate has a molecular weight of 464.47 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 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-benzamidobenzoate is sourced from PubChem (CID 2525027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).