2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide

C18H22N2O3 — CID 26438685

IUPAC2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-12-6-5-7-13(2)18(12)20-17(21)11-19-15-9-8-14(22-3)10-16(15)23-4/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyOKLWTDOPQMMCOT-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.37
Rot. Bonds6

About 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide

2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 26438685) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID26438685
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2c(C)cccc2C)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-12-6-5-7-13(2)18(12)20-17(21)11-19-15-9-8-14(22-3)10-16(15)23-4/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyOKLWTDOPQMMCOT-UHFFFAOYSA-N
XLogP3.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954579
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 42996619
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-(2,4-dimethoxyphenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082798
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide (CID 26438685) is 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide is COc1ccc(NCC(=O)Nc2c(C)cccc2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is OKLWTDOPQMMCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-6-5-7-13(2)18(12)20-17(21)11-19-15-9-8-14(22-3)10-16(15)23-4/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide?
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 26438685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).