3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide

C19H18N2O3 — CID 109051001

IUPAC3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H18N2O3/c1-3-11-20-18(23)15-5-4-6-16(12-15)19(24)21-17-9-7-14(8-10-17)13(2)22/h3-10,12H,1,11H2,2H3,(H,20,23)(H,21,24)
InChIKeySJUYZRYGSYPPPT-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.06
Rot. Bonds6

About 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide

3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide (PubChem CID 109051001) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
PubChem CID109051001
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H18N2O3/c1-3-11-20-18(23)15-5-4-6-16(12-15)19(24)21-17-9-7-14(8-10-17)13(2)22/h3-10,12H,1,11H2,2H3,(H,20,23)(H,21,24)
InChIKeySJUYZRYGSYPPPT-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-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

4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128
3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051017
3-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052615
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043611
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
CID 134032815
3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
CID 134057626
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980083

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide (CID 109051001) is 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
The InChIKey is SJUYZRYGSYPPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-11-20-18(23)15-5-4-6-16(12-15)19(24)21-17-9-7-14(8-10-17)13(2)22/h3-10,12H,1,11H2,2H3,(H,20,23)(H,21,24).
What are the key properties of 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109051001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).