3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide

C21H26N2O4 — CID 113130250

IUPAC3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2c(C)cccc2C)C(C)=O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-7-6-8-15(2)21(14)22-20(25)11-12-23(16(3)24)17-9-10-18(26-4)19(13-17)27-5/h6-10,13H,11-12H2,1-5H3,(H,22,25)
InChIKeyWOBIKGUEYXNWQP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.70
Rot. Bonds7

About 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide

3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 113130250) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
PubChem CID113130250
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2c(C)cccc2C)C(C)=O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-7-6-8-15(2)21(14)22-20(25)11-12-23(16(3)24)17-9-10-18(26-4)19(13-17)27-5/h6-10,13H,11-12H2,1-5H3,(H,22,25)
InChIKeyWOBIKGUEYXNWQP-UHFFFAOYSA-N
XLogP3.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113130255
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113174903
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179
ethyl 4-[acetyl-[3-(2,6-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113133356
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130022
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide (CID 113130250) is 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide is COc1ccc(N(CCC(=O)Nc2c(C)cccc2C)C(C)=O)cc1OC.
What is the InChIKey of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is WOBIKGUEYXNWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-7-6-8-15(2)21(14)22-20(25)11-12-23(16(3)24)17-9-10-18(26-4)19(13-17)27-5/h6-10,13H,11-12H2,1-5H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide?
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 113130250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).