1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide

C19H25N3O2 — CID 109149507

IUPAC1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C19H25N3O2/c1-3-22(4-2)19(24)15-11-9-14(10-12-15)18(23)21-17-8-6-5-7-16(17)13-20/h5-8,14-15H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyOIHWPFCNTJOIKD-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds5

About 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide

1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide (PubChem CID 109149507) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
PubChem CID109149507
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C19H25N3O2/c1-3-22(4-2)19(24)15-11-9-14(10-12-15)18(23)21-17-8-6-5-7-16(17)13-20/h5-8,14-15H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyOIHWPFCNTJOIKD-UHFFFAOYSA-N
XLogP3.17
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
methyl 2-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149471
1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
1-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109148526
4-N-(2-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148403
1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109150141
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide (CID 109149507) is 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide is CCN(CC)C(=O)C1CCC(C(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The InChIKey is OIHWPFCNTJOIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-22(4-2)19(24)15-11-9-14(10-12-15)18(23)21-17-8-6-5-7-16(17)13-20/h5-8,14-15H,3-4,9-12H2,1-2H3,(H,21,23).
What are the key properties of 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).