[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate

C20H23NO4 — CID 46630104

IUPAC[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OC(C)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H23NO4/c1-13-9-10-17(14(2)11-13)21-20(23)15(3)25-19(22)12-16-7-5-6-8-18(16)24-4/h5-11,15H,12H2,1-4H3,(H,21,23)
InChIKeyYJHLRFYKJUVDER-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.42
Rot. Bonds6

About [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate

[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate (PubChem CID 46630104) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
PubChem CID46630104
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OC(C)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C20H23NO4/c1-13-9-10-17(14(2)11-13)21-20(23)15(3)25-19(22)12-16-7-5-6-8-18(16)24-4/h5-11,15H,12H2,1-4H3,(H,21,23)
InChIKeyYJHLRFYKJUVDER-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886114
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
CID 9310634
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
CID 9310631
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxy-5-methylphenyl)acetate
CID 9310669
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46622593
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886418
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385318
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885278
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525198
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8735394
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738271
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 55417635

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate (CID 46630104) is [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate is COc1ccccc1CC(=O)OC(C)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
The InChIKey is YJHLRFYKJUVDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-9-10-17(14(2)11-13)21-20(23)15(3)25-19(22)12-16-7-5-6-8-18(16)24-4/h5-11,15H,12H2,1-4H3,(H,21,23).
What are the key properties of [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate?
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate has a molecular weight of 341.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 46630104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).