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

C24H30N2O2 — CID 109148068

IUPAC4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CCC(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-18-6-5-9-20(16-18)17-26-24(28)22-12-10-21(11-13-22)23(27)25-15-14-19-7-3-2-4-8-19/h2-9,16,21-22H,10-15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyFMIGKLMBXGTIFS-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.78
Rot. Bonds7

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

4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148068) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148068
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CCC(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-18-6-5-9-20(16-18)17-26-24(28)22-12-10-21(11-13-22)23(27)25-15-14-19-7-3-2-4-8-19/h2-9,16,21-22H,10-15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyFMIGKLMBXGTIFS-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.78
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
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148113
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
1-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71035260
N-[2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111135196

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide (CID 109148068) is 4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is Cc1cccc(CNC(=O)C2CCC(C(=O)NCCc3ccccc3)CC2)c1.
What is the InChIKey of 4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is FMIGKLMBXGTIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18-6-5-9-20(16-18)17-26-24(28)22-12-10-21(11-13-22)23(27)25-15-14-19-7-3-2-4-8-19/h2-9,16,21-22H,10-15,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide?
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).