4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide

C24H30N2O2 — CID 109148979

IUPAC4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NCCc3ccccc3)CC2)cc1C
InChIInChI=1S/C24H30N2O2/c1-17-8-13-22(16-18(17)2)26-24(28)21-11-9-20(10-12-21)23(27)25-15-14-19-6-4-3-5-7-19/h3-8,13,16,20-21H,9-12,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWKIHQVFWGFOIGS-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.41
Rot. Bonds6

About 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide

4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148979) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148979
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NCCc3ccccc3)CC2)cc1C
InChIInChI=1S/C24H30N2O2/c1-17-8-13-22(16-18(17)2)26-24(28)21-11-9-20(10-12-21)23(27)25-15-14-19-6-4-3-5-7-19/h3-8,13,16,20-21H,9-12,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWKIHQVFWGFOIGS-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149008

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (CID 109148979) is 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)NCCc3ccccc3)CC2)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is WKIHQVFWGFOIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-8-13-22(16-18(17)2)26-24(28)21-11-9-20(10-12-21)23(27)25-15-14-19-6-4-3-5-7-19/h3-8,13,16,20-21H,9-12,14-15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).