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

C23H28N2O2 — CID 109148972

IUPAC4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-17-6-5-9-21(16-17)25-23(27)20-12-10-19(11-13-20)22(26)24-15-14-18-7-3-2-4-8-18/h2-9,16,19-20H,10-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyRMMIJENVSKMUJR-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.10
Rot. Bonds6

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

4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148972) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148972
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-17-6-5-9-21(16-17)25-23(27)20-12-10-19(11-13-20)22(26)24-15-14-18-7-3-2-4-8-18/h2-9,16,19-20H,10-15H2,1H3,(H,24,26)(H,25,27)
InChIKeyRMMIJENVSKMUJR-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (CID 109148972) is 4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is Cc1cccc(NC(=O)C2CCC(C(=O)NCCc3ccccc3)CC2)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is RMMIJENVSKMUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-6-5-9-21(16-17)25-23(27)20-12-10-19(11-13-20)22(26)24-15-14-18-7-3-2-4-8-18/h2-9,16,19-20H,10-15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).