1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

C21H30N2O2 — CID 109146142

IUPAC1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C21H30N2O2/c1-15-6-5-9-19(14-15)23-21(25)17-12-10-16(11-13-17)20(24)22-18-7-3-2-4-8-18/h5-6,9,14,16-18H,2-4,7-8,10-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyKUVBZVGEKTYXCY-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.19
Rot. Bonds4

About 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide

1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146142) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146142
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C21H30N2O2/c1-15-6-5-9-19(14-15)23-21(25)17-12-10-16(11-13-17)20(24)22-18-7-3-2-4-8-18/h5-6,9,14,16-18H,2-4,7-8,10-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyKUVBZVGEKTYXCY-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
N-(3-methylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110856707
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109146142) is 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is Cc1cccc(NC(=O)C2CCC(C(=O)NC3CCCCC3)CC2)c1.
What is the InChIKey of 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is KUVBZVGEKTYXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15-6-5-9-19(14-15)23-21(25)17-12-10-16(11-13-17)20(24)22-18-7-3-2-4-8-18/h5-6,9,14,16-18H,2-4,7-8,10-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 342.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).