[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate

C25H25NO5 — CID 42963212

IUPAC[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OC(C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1
InChIInChI=1S/C25H25NO5/c1-16-10-11-17(2)21(14-16)26-24(27)23(18-8-6-5-7-9-18)31-25(28)20-13-12-19(29-3)15-22(20)30-4/h5-15,23H,1-4H3,(H,26,27)
InChIKeyYZCFEHZWYYRWOE-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.86
Rot. Bonds7

About [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate

[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate (PubChem CID 42963212) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
PubChem CID42963212
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OC(C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1
InChIInChI=1S/C25H25NO5/c1-16-10-11-17(2)21(14-16)26-24(27)23(18-8-6-5-7-9-18)31-25(28)20-13-12-19(29-3)15-22(20)30-4/h5-15,23H,1-4H3,(H,26,27)
InChIKeyYZCFEHZWYYRWOE-UHFFFAOYSA-N
XLogP4.86
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-methoxy-5-nitrobenzoate
CID 46608761
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-4-methylbenzoate
CID 42966348
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 2674891
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-chloro-4-fluorobenzoate
CID 42963369
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 2362099
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 5-chloro-2-fluorobenzoate
CID 8620075
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2,4-difluorobenzoate
CID 4853977
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7860792
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 46619952
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate
CID 42983370

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate (CID 42963212) is [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate is COc1ccc(C(=O)OC(C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
The InChIKey is YZCFEHZWYYRWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-16-10-11-17(2)21(14-16)26-24(27)23(18-8-6-5-7-9-18)31-25(28)20-13-12-19(29-3)15-22(20)30-4/h5-15,23H,1-4H3,(H,26,27).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate?
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate has a molecular weight of 419.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 42963212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).