2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide

C20H24N2O4 — CID 78865415

IUPAC2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccccc2C(=O)NC(C)C)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)21-20(24)16-7-5-6-8-17(16)22-19(23)12-14-11-15(25-3)9-10-18(14)26-4/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyWPQCALGTVOZUEW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.02
Rot. Bonds7

About 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 78865415) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID78865415
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccccc2C(=O)NC(C)C)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)21-20(24)16-7-5-6-8-17(16)22-19(23)12-14-11-15(25-3)9-10-18(14)26-4/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyWPQCALGTVOZUEW-UHFFFAOYSA-N
XLogP3.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407
2-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)acetamide
CID 78804018
N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 2975281
2-(2,5-dimethoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 78827090
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
2-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34729772
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide (CID 78865415) is 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide is COc1ccc(OC)c(CC(=O)Nc2ccccc2C(=O)NC(C)C)c1.
What is the InChIKey of 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is WPQCALGTVOZUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(2)21-20(24)16-7-5-6-8-17(16)22-19(23)12-14-11-15(25-3)9-10-18(14)26-4/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 356.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 78865415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).