4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide

C19H26N4O2 — CID 109147163

IUPAC4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCNC(=O)C1CCC(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C19H26N4O2/c1-23(2)11-10-21-18(24)15-6-8-16(9-7-15)19(25)22-17-5-3-4-14(12-17)13-20/h3-5,12,15-16H,6-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKTDFINFSLKBXCK-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.98
Rot. Bonds6

About 4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide

4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109147163) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109147163
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCNC(=O)C1CCC(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C19H26N4O2/c1-23(2)11-10-21-18(24)15-6-8-16(9-7-15)19(25)22-17-5-3-4-14(12-17)13-20/h3-5,12,15-16H,6-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKTDFINFSLKBXCK-UHFFFAOYSA-N
XLogP1.98
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
4-N-(4-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147350
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149090
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
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-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147342
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
1-N-[3-(dimethylamino)propyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147332
1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130608
4-benzyl-1-N-(3-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]piperazine-1,2-dicarboxamide
CID 24730629
(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95290519

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide (CID 109147163) is 4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide is CN(C)CCNC(=O)C1CCC(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of 4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is KTDFINFSLKBXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-23(2)11-10-21-18(24)15-6-8-16(9-7-15)19(25)22-17-5-3-4-14(12-17)13-20/h3-5,12,15-16H,6-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide?
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.98, 6 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-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).