3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide

C20H24N2O4 — CID 113123860

IUPAC3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(C(C)=O)c2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O4/c1-14-6-5-7-16(12-14)22(15(2)23)11-10-20(24)21-18-13-17(25-3)8-9-19(18)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,21,24)
InChIKeyQGQNTOSBTRZTJV-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.39
Rot. Bonds7

About 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide

3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 113123860) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID113123860
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(C(C)=O)c2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O4/c1-14-6-5-7-16(12-14)22(15(2)23)11-10-20(24)21-18-13-17(25-3)8-9-19(18)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,21,24)
InChIKeyQGQNTOSBTRZTJV-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113123896
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113131170
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113174146
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113126214
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide (CID 113123860) is 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)CCN(C(C)=O)c2cccc(C)c2)c1.
What is the InChIKey of 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is QGQNTOSBTRZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-6-5-7-16(12-14)22(15(2)23)11-10-20(24)21-18-13-17(25-3)8-9-19(18)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide?
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 356.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113123860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).