[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate

C21H25NO4 — CID 8738292

IUPAC[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
SMILESCCOc1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C21H25NO4/c1-5-25-19-9-7-6-8-18(19)22-21(24)16(4)26-20(23)13-17-11-10-14(2)15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyCOCHDHMGJNQDSX-MRXNPFEDSA-N
MW355.43 g/mol
LogP3.82
Rot. Bonds7

About [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate

[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate (PubChem CID 8738292) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
PubChem CID8738292
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
SMILESCCOc1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C21H25NO4/c1-5-25-19-9-7-6-8-18(19)22-21(24)16(4)26-20(23)13-17-11-10-14(2)15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyCOCHDHMGJNQDSX-MRXNPFEDSA-N
XLogP3.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738271
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885477
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 46621179
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8527103
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 8948060
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7709454
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 7904655
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
CID 46621239
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8527055

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate?
The IUPAC name of [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate (CID 8738292) is [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate is CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate?
The InChIKey is COCHDHMGJNQDSX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-25-19-9-7-6-8-18(19)22-21(24)16(4)26-20(23)13-17-11-10-14(2)15(3)12-17/h6-12,16H,5,13H2,1-4H3,(H,22,24)/t16-/m1/s1.
What are the key properties of [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate?
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate has a molecular weight of 355.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 8738292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).