4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

C23H28N2O2 — CID 109150418

IUPAC4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-15-5-4-6-20(12-15)24-22(26)18-7-9-19(10-8-18)23(27)25-21-13-16(2)11-17(3)14-21/h4-6,11-14,18-19H,7-10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySVIQGFUHVGDDEI-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.00
Rot. Bonds4

About 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150418) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150418
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-15-5-4-6-20(12-15)24-22(26)18-7-9-19(10-8-18)23(27)25-21-13-16(2)11-17(3)14-21/h4-6,11-14,18-19H,7-10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySVIQGFUHVGDDEI-UHFFFAOYSA-N
XLogP5.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
N-(3-methylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110856707
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
CID 126781653
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109150418) is 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is Cc1cccc(NC(=O)C2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is SVIQGFUHVGDDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15-5-4-6-20(12-15)24-22(26)18-7-9-19(10-8-18)23(27)25-21-13-16(2)11-17(3)14-21/h4-6,11-14,18-19H,7-10H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).