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

C22H26N2O2 — CID 109052147

IUPAC3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-10-12-17(13-11-16)15-23-21(25)18-6-5-7-19(14-18)22(26)24-20-8-3-2-4-9-20/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyKGIQKFGHLDXDMB-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.99
Rot. Bonds5

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

3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109052147) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109052147
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-10-12-17(13-11-16)15-23-21(25)18-6-5-7-19(14-18)22(26)24-20-8-3-2-4-9-20/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyKGIQKFGHLDXDMB-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054366
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
N-cyclooctyl-4-methylbenzamide
CID 3995245
N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945749
N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256246
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide (CID 109052147) is 3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide is Cc1ccc(CNC(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is KGIQKFGHLDXDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-10-12-17(13-11-16)15-23-21(25)18-6-5-7-19(14-18)22(26)24-20-8-3-2-4-9-20/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide?
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.99, 5 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-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).