1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide

C22H23N3O2 — CID 109150405

IUPAC1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H23N3O2/c1-15-4-2-3-5-20(15)25-22(27)18-10-8-17(9-11-18)21(26)24-19-12-6-16(14-23)7-13-19/h2-7,12-13,17-18H,8-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyBLNHQEVYVUBIQY-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.25
Rot. Bonds4

About 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide

1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150405) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150405
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H23N3O2/c1-15-4-2-3-5-20(15)25-22(27)18-10-8-17(9-11-18)21(26)24-19-12-6-16(14-23)7-13-19/h2-7,12-13,17-18H,8-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyBLNHQEVYVUBIQY-UHFFFAOYSA-N
XLogP4.25
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109145210
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
(3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 70107812
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
4-N-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148405
4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150408
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147578

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109150405) is 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide is Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is BLNHQEVYVUBIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-4-2-3-5-20(15)25-22(27)18-10-8-17(9-11-18)21(26)24-19-12-6-16(14-23)7-13-19/h2-7,12-13,17-18H,8-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).