4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide

C35H36N6O2 — CID 91496280

IUPAC4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide
SMILES[H]/N=N/C(/N=N/[H])NC(=O)c1ccc(CN(C(=O)c2ccc(Cc3ccccc3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C35H36N6O2/c36-39-35(40-37)38-33(42)30-15-13-27(14-16-30)24-41(32-21-19-29(20-22-32)28-9-5-2-6-10-28)34(43)31-17-11-26(12-18-31)23-25-7-3-1-4-8-25/h1,3-4,7-8,11-22,28,35-37H,2,5-6,9-10,23-24H2,(H,38,42)/b39-36+,40-37+
InChIKeyCFHULCHNLIHPHQ-DNCKCRQPSA-N
MW572.71 g/mol
LogP8.25
Rot. Bonds11

About 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide

4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 91496280) has the molecular formula C35H36N6O2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide
PubChem CID91496280
Molecular FormulaC35H36N6O2
Molecular Weight572.71 g/mol
Exact Mass572.29
IUPAC Name4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide
SMILES[H]/N=N/C(/N=N/[H])NC(=O)c1ccc(CN(C(=O)c2ccc(Cc3ccccc3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C35H36N6O2/c36-39-35(40-37)38-33(42)30-15-13-27(14-16-30)24-41(32-21-19-29(20-22-32)28-9-5-2-6-10-28)34(43)31-17-11-26(12-18-31)23-25-7-3-1-4-8-25/h1,3-4,7-8,11-22,28,35-37H,2,5-6,9-10,23-24H2,(H,38,42)/b39-36+,40-37+
InChIKeyCFHULCHNLIHPHQ-DNCKCRQPSA-N
XLogP8.25
TPSA121.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 58.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-cyclohexyl-N-[3-(2,6-dichlorophenyl)prop-2-enoyl]anilino]methyl]-N-(didiazenylmethyl)benzamide
CID 90730367
[N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium
CID 163818251
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
4-[[(4-tert-butylcyclohexyl)-(4-oxo-4-phenylbutanoyl)amino]methyl]-N-(didiazenylmethyl)benzamide
CID 91469477
4-[[4-cyclohexyl-N-(2-phenylethylcarbamoyl)anilino]methyl]-N-[N'-(methyldiazenyl)carbamimidoyl]benzamide
CID 173076089
3-[[4-[[4-cyclohexyl-N-[(2-phenylphenyl)methylcarbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid
CID 22311157
(2R)-3-[[4-[[4-cyclohexyl-N-[(2-phenylphenyl)methylcarbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid
CID 10258106
N-(4-tert-butylcyclohexyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]-3-(trifluoromethyl)benzamide
CID 90993094
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
4-[[4-cyclohexyl-N-[[(1R)-1-phenylethyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 68907342
3-[[4-[[N-[(3-chlorophenyl)carbamoyl]-4-cyclohexylanilino]methyl]benzoyl]amino]-2-fluoropropanoic acid
CID 20584839
4-[(4-cyclohexylphenyl)methyl-[(2R)-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-3-phenylmethoxypropanoyl]amino]-N-methylbenzamide
CID 161349066

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide (CID 91496280) is 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide is [H]/N=N/C(/N=N/[H])NC(=O)c1ccc(CN(C(=O)c2ccc(Cc3ccccc3)cc2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is CFHULCHNLIHPHQ-DNCKCRQPSA-N. The full InChI is InChI=1S/C35H36N6O2/c36-39-35(40-37)38-33(42)30-15-13-27(14-16-30)24-41(32-21-19-29(20-22-32)28-9-5-2-6-10-28)34(43)31-17-11-26(12-18-31)23-25-7-3-1-4-8-25/h1,3-4,7-8,11-22,28,35-37H,2,5-6,9-10,23-24H2,(H,38,42)/b39-36+,40-37+.
What are the key properties of 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide?
4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 572.71 g/mol, XLogP of 8.25, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 91496280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).