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

C21H34N4O2 — CID 109147341

IUPAC4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C21H34N4O2/c1-24(2)15-5-14-22-20(26)16-6-8-17(9-7-16)21(27)23-18-10-12-19(13-11-18)25(3)4/h10-13,16-17H,5-9,14-15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyQEOQBZDSNGKKRF-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.57
Rot. Bonds8

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

4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109147341) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
PubChem CID109147341
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C21H34N4O2/c1-24(2)15-5-14-22-20(26)16-6-8-17(9-7-16)21(27)23-18-10-12-19(13-11-18)25(3)4/h10-13,16-17H,5-9,14-15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyQEOQBZDSNGKKRF-UHFFFAOYSA-N
XLogP2.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147286
4-N-(4-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147350
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
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
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
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
CID 112520495
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide (CID 109147341) is 4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide is CN(C)CCCNC(=O)C1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is QEOQBZDSNGKKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-24(2)15-5-14-22-20(26)16-6-8-17(9-7-16)21(27)23-18-10-12-19(13-11-18)25(3)4/h10-13,16-17H,5-9,14-15H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide?
4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)phenyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).