3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide

C20H21N3O4 — CID 113130291

IUPAC3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccc(C#N)cc2)C(C)=O)cc1OC
InChIInChI=1S/C20H21N3O4/c1-14(24)23(17-8-9-18(26-2)19(12-17)27-3)11-10-20(25)22-16-6-4-15(13-21)5-7-16/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyJAAFMJUYDLNUTL-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.96
Rot. Bonds7

About 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide

3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide (PubChem CID 113130291) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
PubChem CID113130291
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccc(C#N)cc2)C(C)=O)cc1OC
InChIInChI=1S/C20H21N3O4/c1-14(24)23(17-8-9-18(26-2)19(12-17)27-3)11-10-20(25)22-16-6-4-15(13-21)5-7-16/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyJAAFMJUYDLNUTL-UHFFFAOYSA-N
XLogP2.96
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-cyanophenyl)propanamide
CID 113122110
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113130250
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113064357

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide (CID 113130291) is 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide is COc1ccc(N(CCC(=O)Nc2ccc(C#N)cc2)C(C)=O)cc1OC.
What is the InChIKey of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide?
The InChIKey is JAAFMJUYDLNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(24)23(17-8-9-18(26-2)19(12-17)27-3)11-10-20(25)22-16-6-4-15(13-21)5-7-16/h4-9,12H,10-11H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide?
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 113130291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).