[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

C19H21NO4 — CID 8983228

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)Cc1ccccc1C
InChIInChI=1S/C19H21NO4/c1-13-8-9-17(23-3)16(10-13)20-18(21)12-24-19(22)11-15-7-5-4-6-14(15)2/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyFPXYFDGYSPDIOO-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.04
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 8983228) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID8983228
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)Cc1ccccc1C
InChIInChI=1S/C19H21NO4/c1-13-8-9-17(23-3)16(10-13)20-18(21)12-24-19(22)11-15-7-5-4-6-14(15)2/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyFPXYFDGYSPDIOO-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 8765919
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489147
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266073
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676056
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 40712962
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984751
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2126349

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 8983228) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is COc1ccc(C)cc1NC(=O)COC(=O)Cc1ccccc1C.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is FPXYFDGYSPDIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-8-9-17(23-3)16(10-13)20-18(21)12-24-19(22)11-15-7-5-4-6-14(15)2/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 327.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 8983228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).