1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide

C22H32N2O2 — CID 109146152

IUPAC1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)NC3CCCCC3)CC2)c1C
InChIInChI=1S/C22H32N2O2/c1-15-7-6-10-20(16(15)2)24-22(26)18-13-11-17(12-14-18)21(25)23-19-8-4-3-5-9-19/h6-7,10,17-19H,3-5,8-9,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKYDYSOSMNMVSNN-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.50
Rot. Bonds4

About 1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide

1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146152) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146152
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)NC3CCCCC3)CC2)c1C
InChIInChI=1S/C22H32N2O2/c1-15-7-6-10-20(16(15)2)24-22(26)18-13-11-17(12-14-18)21(25)23-19-8-4-3-5-9-19/h6-7,10,17-19H,3-5,8-9,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKYDYSOSMNMVSNN-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
N-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3218727
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide (CID 109146152) is 1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide is Cc1cccc(NC(=O)C2CCC(C(=O)NC3CCCCC3)CC2)c1C.
What is the InChIKey of 1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is KYDYSOSMNMVSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-15-7-6-10-20(16(15)2)24-22(26)18-13-11-17(12-14-18)21(25)23-19-8-4-3-5-9-19/h6-7,10,17-19H,3-5,8-9,11-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 356.51 g/mol, XLogP of 4.50, 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-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).