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

C17H34N4O2 — CID 109147025

IUPAC4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CCC(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C17H34N4O2/c1-20(2)12-5-10-18-16(22)14-6-8-15(9-7-14)17(23)19-11-13-21(3)4/h14-15H,5-13H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyXRDSKRFLWODHDC-UHFFFAOYSA-N
MW326.49 g/mol
LogP0.54
Rot. Bonds9

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

4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109147025) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
PubChem CID109147025
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CCC(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C17H34N4O2/c1-20(2)12-5-10-18-16(22)14-6-8-15(9-7-14)17(23)19-11-13-21(3)4/h14-15H,5-13H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyXRDSKRFLWODHDC-UHFFFAOYSA-N
XLogP0.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.54
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

N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 109147237
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
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
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066419
4-N-(4-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147350
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
CID 146256240
1-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109147324
1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147342
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide (CID 109147025) is 4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide is CN(C)CCCNC(=O)C1CCC(C(=O)NCCN(C)C)CC1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is XRDSKRFLWODHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-20(2)12-5-10-18-16(22)14-6-8-15(9-7-14)17(23)19-11-13-21(3)4/h14-15H,5-13H2,1-4H3,(H,18,22)(H,19,23).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 326.49 g/mol, XLogP of 0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).