3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide

C22H28N2O4 — CID 113130020

IUPAC3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1ccc(OC)c(N(CCC(=O)Nc2c(C)cc(C)cc2C)C(C)=O)c1
InChIInChI=1S/C22H28N2O4/c1-14-11-15(2)22(16(3)12-14)23-21(26)9-10-24(17(4)25)19-13-18(27-5)7-8-20(19)28-6/h7-8,11-13H,9-10H2,1-6H3,(H,23,26)
InChIKeyMWHZZDKKPQAMGO-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.01
Rot. Bonds7

About 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide

3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 113130020) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID113130020
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCOc1ccc(OC)c(N(CCC(=O)Nc2c(C)cc(C)cc2C)C(C)=O)c1
InChIInChI=1S/C22H28N2O4/c1-14-11-15(2)22(16(3)12-14)23-21(26)9-10-24(17(4)25)19-13-18(27-5)7-8-20(19)28-6/h7-8,11-13H,9-10H2,1-6H3,(H,23,26)
InChIKeyMWHZZDKKPQAMGO-UHFFFAOYSA-N
XLogP4.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2,5-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130022
3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113130031
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113174587
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113129157
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-2,3-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113125081
3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
CID 113130052
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113130250
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113129681
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113174903

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide (CID 113130020) is 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide is COc1ccc(OC)c(N(CCC(=O)Nc2c(C)cc(C)cc2C)C(C)=O)c1.
What is the InChIKey of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is MWHZZDKKPQAMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14-11-15(2)22(16(3)12-14)23-21(26)9-10-24(17(4)25)19-13-18(27-5)7-8-20(19)28-6/h7-8,11-13H,9-10H2,1-6H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide?
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 113130020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).