4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide

C19H19N3O3 — CID 109043595

IUPAC4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-12-20-18(24)14-4-6-15(7-5-14)19(25)22-17-10-8-16(9-11-17)21-13(2)23/h3-11H,1,12H2,2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyZKDWAWNFAFXRLY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.81
Rot. Bonds6

About 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide

4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide (PubChem CID 109043595) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
PubChem CID109043595
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-12-20-18(24)14-4-6-15(7-5-14)19(25)22-17-10-8-16(9-11-17)21-13(2)23/h3-11H,1,12H2,2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyZKDWAWNFAFXRLY-UHFFFAOYSA-N
XLogP2.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide 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-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
4-formamido-N-prop-2-enylbenzamide
CID 64992358
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043611
4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide
CID 61062671
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide
CID 55834926

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide (CID 109043595) is 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide is C=CCNC(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The InChIKey is ZKDWAWNFAFXRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-12-20-18(24)14-4-6-15(7-5-14)19(25)22-17-10-8-16(9-11-17)21-13(2)23/h3-11H,1,12H2,2H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).