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

C22H26N2O2 — CID 109148085

IUPAC1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-16-6-5-7-17(14-16)15-23-21(25)18-10-12-19(13-11-18)22(26)24-20-8-3-2-4-9-20/h2-9,14,18-19H,10-13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyXQSHPLLWCXKDOO-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.06
Rot. Bonds5

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

1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109148085) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109148085
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-16-6-5-7-17(14-16)15-23-21(25)18-10-12-19(13-11-18)22(26)24-20-8-3-2-4-9-20/h2-9,14,18-19H,10-13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyXQSHPLLWCXKDOO-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148113
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide (CID 109148085) is 1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide is Cc1cccc(CNC(=O)C2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is XQSHPLLWCXKDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-6-5-7-17(14-16)15-23-21(25)18-10-12-19(13-11-18)22(26)24-20-8-3-2-4-9-20/h2-9,14,18-19H,10-13,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).