2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide

C21H26N2O4 — CID 113174903

IUPAC2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)C(C)=O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-13-9-14(2)21(15(3)10-13)22-20(25)12-23(16(4)24)17-7-8-18(26-5)19(11-17)27-6/h7-11H,12H2,1-6H3,(H,22,25)
InChIKeyHWKYZGJWXTYUSM-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.62
Rot. Bonds6

About 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide

2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 113174903) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID113174903
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)C(C)=O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-13-9-14(2)21(15(3)10-13)22-20(25)12-23(16(4)24)17-7-8-18(26-5)19(11-17)27-6/h7-11H,12H2,1-6H3,(H,22,25)
InChIKeyHWKYZGJWXTYUSM-UHFFFAOYSA-N
XLogP3.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537
2-(N,4-diacetylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113175646
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113130250
2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide
CID 113174936
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113172713
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113174587
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 113174903) is 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)C(C)=O)cc1OC.
What is the InChIKey of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is HWKYZGJWXTYUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13-9-14(2)21(15(3)10-13)22-20(25)12-23(16(4)24)17-7-8-18(26-5)19(11-17)27-6/h7-11H,12H2,1-6H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 113174903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).