[N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium

C34H41N6O2+ — CID 163818251

IUPAC[N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium
SMILESNN=C(N=[NH2+])NC(=O)c1ccc(CN(C(=O)c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C34H40N6O2/c35-38-34(39-36)37-32(41)29-13-11-24(12-14-29)23-40(31-21-19-28(20-22-31)26-9-5-2-6-10-26)33(42)30-17-15-27(16-18-30)25-7-3-1-4-8-25/h11-22,25-26,35H,1-10,23,36H2,(H,37,39,41)/p+1
InChIKeyNTEHQBKEDXWBLE-UHFFFAOYSA-O
MW565.74 g/mol
LogP5.80
Rot. Bonds7

About [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium

[N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium (PubChem CID 163818251) has the molecular formula C34H41N6O2+ and a molecular weight of 565.74 g/mol. Its IUPAC name is [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium.

Molecular Properties

Compound Name[N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium
PubChem CID163818251
Molecular FormulaC34H41N6O2+
Molecular Weight565.74 g/mol
Exact Mass565.33
IUPAC Name[N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium
SMILESNN=C(N=[NH2+])NC(=O)c1ccc(CN(C(=O)c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C34H40N6O2/c35-38-34(39-36)37-32(41)29-13-11-24(12-14-29)23-40(31-21-19-28(20-22-31)26-9-5-2-6-10-26)33(42)30-17-15-27(16-18-30)25-7-3-1-4-8-25/h11-22,25-26,35H,1-10,23,36H2,(H,37,39,41)/p+1
InChIKeyNTEHQBKEDXWBLE-UHFFFAOYSA-O
XLogP5.80
TPSA125.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.74
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium with MolForge

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Related Compounds

4-[[N-[1-(4-bromophenyl)ethylcarbamoyl]-4-cyclohexylanilino]methyl]-N-(N-methyliminocarbamohydrazonoyl)benzamide
CID 173076099
4-benzyl-N-(4-cyclohexylphenyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]benzamide
CID 91496280
4-[[4-cyclohexyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]anilino]methyl]-N-(N-methyliminocarbamohydrazonoyl)benzamide
CID 173338096
N-[(Z)-N-amino-N-methylcarbamohydrazonoyl]-4-[(4-cyclohexyl-N-[(E)-3-(2-methylphenyl)prop-2-enoyl]anilino)methyl]benzamide
CID 142027346
4-[[4-cyclohexyl-N-(2-phenylethylcarbamoyl)anilino]methyl]-N-[N'-(methyldiazenyl)carbamimidoyl]benzamide
CID 173076089
3-chloro-N-(4-cyclohexylphenyl)-N-[[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]methyl]benzamide
CID 59117033
[N'-[4-[[4-cyclohexyl-N-[(3,5-dibromophenyl)carbamoyl]anilino]methyl]benzoyl]carbamimidoyl]iminoazanium
CID 142027395
4-[[4-cyclohexyl-N-[(2,5-dichlorothiophen-3-yl)carbamoyl]anilino]methyl]-N-(N'-diazenylcarbamimidoyl)benzamide
CID 142027222
4-[[4-cyclohexyl-N-[(3,5-dichlorophenyl)methylcarbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549971
4-[[N-[2-(4-chlorophenoxy)propanoyl]-4-cyclohexylanilino]methyl]-N-(N-hydrazinylidenecarbamimidoyl)benzamide
CID 173338098
4-[[4-cyclohexyl-N-[4-(4-nitrophenyl)butanoyl]anilino]methyl]-N-(N'-diazenylcarbamimidoyl)benzamide
CID 173338116
3-[[4-[[N-[(3-bromo-4-methylphenyl)carbamoyl]-4-cyclohexylanilino]methyl]benzoyl]amino]propanoic acid
CID 18347014

Frequently Asked Questions

What is the IUPAC name of [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium?
The IUPAC name of [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium (CID 163818251) is [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium.
What is the SMILES notation for [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium?
The canonical SMILES for [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium is NN=C(N=[NH2+])NC(=O)c1ccc(CN(C(=O)c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium?
The InChIKey is NTEHQBKEDXWBLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H40N6O2/c35-38-34(39-36)37-32(41)29-13-11-24(12-14-29)23-40(31-21-19-28(20-22-31)26-9-5-2-6-10-26)33(42)30-17-15-27(16-18-30)25-7-3-1-4-8-25/h11-22,25-26,35H,1-10,23,36H2,(H,37,39,41)/p+1.
What are the key properties of [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium?
[N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium has a molecular weight of 565.74 g/mol, XLogP of 5.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [N-[4-[(4-cyclohexyl-N-(4-cyclohexylbenzoyl)anilino)methyl]benzoyl]carbamohydrazonoyl]iminoazanium is sourced from PubChem (CID 163818251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).