3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide

C22H26N2O2 — CID 109052202

IUPAC3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1C
InChIInChI=1S/C22H26N2O2/c1-15-11-12-20(13-16(15)2)24-22(26)18-8-6-7-17(14-18)21(25)23-19-9-4-3-5-10-19/h6-8,11-14,19H,3-5,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOMHARBCIBPLSAF-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.62
Rot. Bonds4

About 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide

3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109052202) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109052202
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1C
InChIInChI=1S/C22H26N2O2/c1-15-11-12-20(13-16(15)2)24-22(26)18-8-6-7-17(14-18)21(25)23-19-9-4-3-5-10-19/h6-8,11-14,19H,3-5,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOMHARBCIBPLSAF-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052210
methyl 4-[[3-(cycloheptylcarbamoyl)benzoyl]amino]benzoate
CID 109056131
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
N-cyclooctyl-3-methylbenzamide
CID 966011
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28587698
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide (CID 109052202) is 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1C.
What is the InChIKey of 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is OMHARBCIBPLSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-11-12-20(13-16(15)2)24-22(26)18-8-6-7-17(14-18)21(25)23-19-9-4-3-5-10-19/h6-8,11-14,19H,3-5,9-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide?
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).