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

C24H28N2O3 — CID 109148113

IUPAC4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C24H28N2O3/c1-16-4-3-5-18(14-16)15-25-23(28)20-6-8-21(9-7-20)24(29)26-22-12-10-19(11-13-22)17(2)27/h3-5,10-14,20-21H,6-9,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyABNUOMNFIKBTAZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.26
Rot. Bonds6

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

4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109148113) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109148113
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C24H28N2O3/c1-16-4-3-5-18(14-16)15-25-23(28)20-6-8-21(9-7-20)24(29)26-22-12-10-19(11-13-22)17(2)27/h3-5,10-14,20-21H,6-9,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyABNUOMNFIKBTAZ-UHFFFAOYSA-N
XLogP4.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109148113) is 4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is CC(=O)c1ccc(NC(=O)C2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is ABNUOMNFIKBTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-4-3-5-18(14-16)15-25-23(28)20-6-8-21(9-7-20)24(29)26-22-12-10-19(11-13-22)17(2)27/h3-5,10-14,20-21H,6-9,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).