3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide

C20H24N2O4 — CID 113130084

IUPAC3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccccc2)C(C)=O)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-15(23)22(18-10-9-17(25-2)13-19(18)26-3)12-11-20(24)21-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,21,24)
InChIKeyBAZYQLWLFBBZAH-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.76
Rot. Bonds8

About 3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide

3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide (PubChem CID 113130084) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
PubChem CID113130084
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccccc2)C(C)=O)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-15(23)22(18-10-9-17(25-2)13-19(18)26-3)12-11-20(24)21-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,21,24)
InChIKeyBAZYQLWLFBBZAH-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130062
3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113128722
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-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113130135
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
N-(2,4-dimethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113061264

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide (CID 113130084) is 3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide is COc1ccc(N(CCC(=O)NCc2ccccc2)C(C)=O)c(OC)c1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide?
The InChIKey is BAZYQLWLFBBZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15(23)22(18-10-9-17(25-2)13-19(18)26-3)12-11-20(24)21-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide?
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide has a molecular weight of 356.42 g/mol, XLogP of 2.76, 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-benzylpropanamide is sourced from PubChem (CID 113130084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).