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

C22H23N3O2 — CID 109150457

IUPAC1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C22H23N3O2/c1-15-3-2-4-20(13-15)25-22(27)18-9-7-17(8-10-18)21(26)24-19-11-5-16(14-23)6-12-19/h2-6,11-13,17-18H,7-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyRXRCEJIEYVUZAA-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.25
Rot. Bonds4

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

1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150457) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150457
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C22H23N3O2/c1-15-3-2-4-20(13-15)25-22(27)18-9-7-17(8-10-18)21(26)24-19-11-5-16(14-23)6-12-19/h2-6,11-13,17-18H,7-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyRXRCEJIEYVUZAA-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

N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150405
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
(3S)-N-(4-cyanophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892565
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
N-(3-methylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110856707

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109150457) is 1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is Cc1cccc(NC(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)c1.
What is the InChIKey of 1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is RXRCEJIEYVUZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-3-2-4-20(13-15)25-22(27)18-9-7-17(8-10-18)21(26)24-19-11-5-16(14-23)6-12-19/h2-6,11-13,17-18H,7-10H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-(4-cyanophenyl)-4-N-(3-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-(3-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).