4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide

C24H26N2O3 — CID 109045058

IUPAC4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-17(27)19-11-13-22(14-12-19)26-24(29)21-9-7-20(8-10-21)23(28)25-16-15-18-5-3-2-4-6-18/h5,7-14H,2-4,6,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyBVNJAWYEEBZLTM-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.76
Rot. Bonds7

About 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide

4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 109045058) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
PubChem CID109045058
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-17(27)19-11-13-22(14-12-19)26-24(29)21-9-7-20(8-10-21)23(28)25-16-15-18-5-3-2-4-6-18/h5,7-14H,2-4,6,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyBVNJAWYEEBZLTM-UHFFFAOYSA-N
XLogP4.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959402
(E)-N'-(4-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylbut-2-enediamide
CID 110832360
N-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46327670
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109052475
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
6-(4-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridazine-3-carboxamide
CID 109113689
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,4-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103349
N-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 46327620
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664163

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide (CID 109045058) is 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide is CC(=O)c1ccc(NC(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2)cc1.
What is the InChIKey of 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is BVNJAWYEEBZLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17(27)19-11-13-22(14-12-19)26-24(29)21-9-7-20(8-10-21)23(28)25-16-15-18-5-3-2-4-6-18/h5,7-14H,2-4,6,15-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide?
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 390.48 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).