2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

C19H24N2O4 — CID 51253107

IUPAC2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2c(C)cccc2C)cc(OC)c1OC
InChIInChI=1S/C19H24N2O4/c1-12-7-6-8-13(2)18(12)20-11-17(22)21-14-9-15(23-3)19(25-5)16(10-14)24-4/h6-10,20H,11H2,1-5H3,(H,21,22)
InChIKeyRPXLLJNBXIMEBM-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.38
Rot. Bonds7

About 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 51253107) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID51253107
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2c(C)cccc2C)cc(OC)c1OC
InChIInChI=1S/C19H24N2O4/c1-12-7-6-8-13(2)18(12)20-11-17(22)21-14-9-15(23-3)19(25-5)16(10-14)24-4/h6-10,20H,11H2,1-5H3,(H,21,22)
InChIKeyRPXLLJNBXIMEBM-UHFFFAOYSA-N
XLogP3.38
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000941
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 55680128
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202
2-(2-methyl-3-nitroanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26525399
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 51253107) is 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CNc2c(C)cccc2C)cc(OC)c1OC.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is RPXLLJNBXIMEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-7-6-8-13(2)18(12)20-11-17(22)21-14-9-15(23-3)19(25-5)16(10-14)24-4/h6-10,20H,11H2,1-5H3,(H,21,22).
What are the key properties of 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 51253107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).