[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

C19H21NO4 — CID 7840224

IUPAC[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H21NO4/c1-13-7-14(2)9-16(8-13)20-18(21)12-24-19(22)11-15-5-4-6-17(10-15)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyXONFROHVAJIYIR-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.04
Rot. Bonds6

About [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 7840224) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
PubChem CID7840224
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H21NO4/c1-13-7-14(2)9-16(8-13)20-18(21)12-24-19(22)11-15-5-4-6-17(10-15)23-3/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyXONFROHVAJIYIR-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

Analyze [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822838
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792811
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828719
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792879
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792855
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840025
butyl 4-[[2-[2-(3-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 8792619
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate (CID 7840224) is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCC(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is XONFROHVAJIYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-7-14(2)9-16(8-13)20-18(21)12-24-19(22)11-15-5-4-6-17(10-15)23-3/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)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-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 7840224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).