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

C21H26N2O4 — CID 113130127

IUPAC3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccc(C)cc2C)C(C)=O)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-14-6-8-18(15(2)12-14)22-21(25)10-11-23(16(3)24)19-9-7-17(26-4)13-20(19)27-5/h6-9,12-13H,10-11H2,1-5H3,(H,22,25)
InChIKeyNWKYGJOZIBQCLC-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.70
Rot. Bonds7

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

3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 113130127) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
PubChem CID113130127
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccc(C)cc2C)C(C)=O)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-14-6-8-18(15(2)12-14)22-21(25)10-11-23(16(3)24)19-9-7-17(26-4)13-20(19)27-5/h6-9,12-13H,10-11H2,1-5H3,(H,22,25)
InChIKeyNWKYGJOZIBQCLC-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-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130141
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130062
3-(N-acetyl-2,5-dimethoxyanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113130031

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide (CID 113130127) is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide is COc1ccc(N(CCC(=O)Nc2ccc(C)cc2C)C(C)=O)c(OC)c1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is NWKYGJOZIBQCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-6-8-18(15(2)12-14)22-21(25)10-11-23(16(3)24)19-9-7-17(26-4)13-20(19)27-5/h6-9,12-13H,10-11H2,1-5H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide?
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-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-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113130127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).