[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

C19H21NO5 — CID 8983402

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2ccccc2C)cc1OC
InChIInChI=1S/C19H21NO5/c1-13-6-4-5-7-14(13)10-19(22)25-12-18(21)20-15-8-9-16(23-2)17(11-15)24-3/h4-9,11H,10,12H2,1-3H3,(H,20,21)
InChIKeyBVMGSWCIUNFNEI-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.74
Rot. Bonds7

About [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 8983402) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID8983402
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2ccccc2C)cc1OC
InChIInChI=1S/C19H21NO5/c1-13-6-4-5-7-14(13)10-19(22)25-12-18(21)20-15-8-9-16(23-2)17(11-15)24-3/h4-9,11H,10,12H2,1-3H3,(H,20,21)
InChIKeyBVMGSWCIUNFNEI-UHFFFAOYSA-N
XLogP2.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)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-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578358
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525666
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554664
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489147
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 8983402) is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is COc1ccc(NC(=O)COC(=O)Cc2ccccc2C)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is BVMGSWCIUNFNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13-6-4-5-7-14(13)10-19(22)25-12-18(21)20-15-8-9-16(23-2)17(11-15)24-3/h4-9,11H,10,12H2,1-3H3,(H,20,21).
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 343.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 8983402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).