4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide

C20H28N4O2 — CID 109147349

IUPAC4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CCC(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C20H28N4O2/c1-24(2)12-4-11-22-19(25)16-7-9-17(10-8-16)20(26)23-18-6-3-5-15(13-18)14-21/h3,5-6,13,16-17H,4,7-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKJBFRFMWOSQBBR-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.37
Rot. Bonds7

About 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide

4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109147349) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
PubChem CID109147349
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CCC(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C20H28N4O2/c1-24(2)12-4-11-22-19(25)16-7-9-17(10-8-16)20(26)23-18-6-3-5-15(13-18)14-21/h3,5-6,13,16-17H,4,7-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKJBFRFMWOSQBBR-UHFFFAOYSA-N
XLogP2.37
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
4-N-(4-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147350
1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147342
1-N-[3-(dimethylamino)propyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147332
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149090
1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147286
4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147341
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017019
1-N-(3-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149214
1-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109147324
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide (CID 109147349) is 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide is CN(C)CCCNC(=O)C1CCC(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is KJBFRFMWOSQBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-24(2)12-4-11-22-19(25)16-7-9-17(10-8-16)20(26)23-18-6-3-5-15(13-18)14-21/h3,5-6,13,16-17H,4,7-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).