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

C19H28FN3O2 — CID 109147342

IUPAC1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H28FN3O2/c1-23(2)12-4-11-21-18(24)14-7-9-15(10-8-14)19(25)22-17-6-3-5-16(20)13-17/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBRVFWVKCEROJNG-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.64
Rot. Bonds7

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

1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147342) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147342
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C19H28FN3O2/c1-23(2)12-4-11-21-18(24)14-7-9-15(10-8-14)19(25)22-17-6-3-5-16(20)13-17/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBRVFWVKCEROJNG-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[3-(dimethylamino)propyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147332
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147286
2-N-[2-(dimethylamino)ethyl]-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133778
4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109145001
4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147341
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
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
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571346
1-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109147324

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide (CID 109147342) is 1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide is CN(C)CCCNC(=O)C1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is BRVFWVKCEROJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-23(2)12-4-11-21-18(24)14-7-9-15(10-8-14)19(25)22-17-6-3-5-16(20)13-17/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).