3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide

C22H28N2O4 — CID 113130137

IUPAC3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccccc2C(C)C)C(C)=O)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-15(2)18-8-6-7-9-19(18)23-22(26)12-13-24(16(3)25)20-11-10-17(27-4)14-21(20)28-5/h6-11,14-15H,12-13H2,1-5H3,(H,23,26)
InChIKeyDCURHISJQGTPPI-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.21
Rot. Bonds8

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

3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113130137) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113130137
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccccc2C(C)C)C(C)=O)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-15(2)18-8-6-7-9-19(18)23-22(26)12-13-24(16(3)25)20-11-10-17(27-4)14-21(20)28-5/h6-11,14-15H,12-13H2,1-5H3,(H,23,26)
InChIKeyDCURHISJQGTPPI-UHFFFAOYSA-N
XLogP4.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130141
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113122091
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130022
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113174773
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
3-(N-acetyl-2,4,6-trimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113126059

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 113130137) is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide is COc1ccc(N(CCC(=O)Nc2ccccc2C(C)C)C(C)=O)c(OC)c1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is DCURHISJQGTPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)18-8-6-7-9-19(18)23-22(26)12-13-24(16(3)25)20-11-10-17(27-4)14-21(20)28-5/h6-11,14-15H,12-13H2,1-5H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide?
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.21, 8 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-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113130137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).