1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide

C23H28N2O2 — CID 109147881

IUPAC1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-25(17-19-10-6-3-7-11-19)23(27)21-14-12-20(13-15-21)22(26)24-16-18-8-4-2-5-9-18/h2-11,20-21H,12-17H2,1H3,(H,24,26)
InChIKeyYXXZHRGGPFROPC-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.77
Rot. Bonds6

About 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide

1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide (PubChem CID 109147881) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
PubChem CID109147881
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-25(17-19-10-6-3-7-11-19)23(27)21-14-12-20(13-15-21)22(26)24-16-18-8-4-2-5-9-18/h2-11,20-21H,12-17H2,1H3,(H,24,26)
InChIKeyYXXZHRGGPFROPC-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148273
4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148278
N-[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 47173784
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
N-benzylcyclopentanecarboxamide
CID 835634
N-benzylcyclobutanecarboxamide
CID 730128
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide (CID 109147881) is 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)C1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide?
The InChIKey is YXXZHRGGPFROPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-25(17-19-10-6-3-7-11-19)23(27)21-14-12-20(13-15-21)22(26)24-16-18-8-4-2-5-9-18/h2-11,20-21H,12-17H2,1H3,(H,24,26).
What are the key properties of 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide?
1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).