4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide

C22H26N2O2 — CID 109150290

IUPAC4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26N2O2/c1-15-7-6-8-16(2)20(15)24-22(26)18-13-11-17(12-14-18)21(25)23-19-9-4-3-5-10-19/h3-10,17-18H,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNAIGSSTVAIOOBB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.69
Rot. Bonds4

About 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide

4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109150290) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109150290
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26N2O2/c1-15-7-6-8-16(2)20(15)24-22(26)18-13-11-17(12-14-18)21(25)23-19-9-4-3-5-10-19/h3-10,17-18H,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNAIGSSTVAIOOBB-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110857554
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
4-(2,3-dihydroindole-1-carbonyl)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 109150575
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
N-(4-anilinophenyl)-4-methylcyclohexane-1-carboxamide
CID 110178754
4-N-(2,6-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148166

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide (CID 109150290) is 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide is Cc1cccc(C)c1NC(=O)C1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is NAIGSSTVAIOOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-7-6-8-16(2)20(15)24-22(26)18-13-11-17(12-14-18)21(25)23-19-9-4-3-5-10-19/h3-10,17-18H,11-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).