[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate

C21H25NO5 — CID 9385346

IUPAC[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C21H25NO5/c1-13-7-6-8-14(2)20(13)22-21(24)15(3)27-19(23)11-16-9-10-17(25-4)12-18(16)26-5/h6-10,12,15H,11H2,1-5H3,(H,22,24)/t15-/m0/s1
InChIKeyHTFBZJLOJQXYMS-HNNXBMFYSA-N
MW371.43 g/mol
LogP3.43
Rot. Bonds7

About [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate

[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 9385346) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
PubChem CID9385346
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C21H25NO5/c1-13-7-6-8-14(2)20(13)22-21(24)15(3)27-19(23)11-16-9-10-17(25-4)12-18(16)26-5/h6-10,12,15H,11H2,1-5H3,(H,22,24)/t15-/m0/s1
InChIKeyHTFBZJLOJQXYMS-HNNXBMFYSA-N
XLogP3.43
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385326
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 43027380
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385318
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617185
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385283
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9029412
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8999030
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958308
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 55419510
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736034
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886114
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46630104

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate (CID 9385346) is [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2c(C)cccc2C)c(OC)c1.
What is the InChIKey of [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is HTFBZJLOJQXYMS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-13-7-6-8-14(2)20(13)22-21(24)15(3)27-19(23)11-16-9-10-17(25-4)12-18(16)26-5/h6-10,12,15H,11H2,1-5H3,(H,22,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 371.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 9385346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).