4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide

C24H30N2O2 — CID 109148309

IUPAC4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCC(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-17-8-7-9-18(2)22(17)25-23(27)20-12-14-21(15-13-20)24(28)26(3)16-19-10-5-4-6-11-19/h4-11,20-21H,12-16H2,1-3H3,(H,25,27)
InChIKeyGATNHIBIKLWFHY-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.71
Rot. Bonds5

About 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide

4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide (PubChem CID 109148309) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
PubChem CID109148309
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCC(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-17-8-7-9-18(2)22(17)25-23(27)20-12-14-21(15-13-20)24(28)26(3)16-19-10-5-4-6-11-19/h4-11,20-21H,12-16H2,1-3H3,(H,25,27)
InChIKeyGATNHIBIKLWFHY-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147881
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672752
4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148273
4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide
CID 109148653
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
4-N-benzyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148278
4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149430
1-N-benzyl-2-N-(2,6-dimethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141876
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide (CID 109148309) is 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide is Cc1cccc(C)c1NC(=O)C1CCC(C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
The InChIKey is GATNHIBIKLWFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-8-7-9-18(2)22(17)25-23(27)20-12-14-21(15-13-20)24(28)26(3)16-19-10-5-4-6-11-19/h4-11,20-21H,12-16H2,1-3H3,(H,25,27).
What are the key properties of 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).