1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide

C19H25N3O2 — CID 109145210

IUPAC1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H25N3O2/c1-2-3-12-21-18(23)15-6-8-16(9-7-15)19(24)22-17-10-4-14(13-20)5-11-17/h4-5,10-11,15-16H,2-3,6-9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyBIOUJYGGEZSXFM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.22
Rot. Bonds6

About 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide

1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145210) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145210
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H25N3O2/c1-2-3-12-21-18(23)15-6-8-16(9-7-15)19(24)22-17-10-4-14(13-20)5-11-17/h4-5,10-11,15-16H,2-3,6-9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyBIOUJYGGEZSXFM-UHFFFAOYSA-N
XLogP3.22
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.22
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

4-N-(4-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147350
4-N-(4-cyanophenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149126
N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147578
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
4-N-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148405
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150405
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
4-N-(3-acetamidophenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149868
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
methyl 3-[[4-(butylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109145173

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide (CID 109145210) is 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide is CCCCNC(=O)C1CCC(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is BIOUJYGGEZSXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-3-12-21-18(23)15-6-8-16(9-7-15)19(24)22-17-10-4-14(13-20)5-11-17/h4-5,10-11,15-16H,2-3,6-9,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide?
1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).