[2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium

C23H31N4O2+ — CID 7987477

IUPAC[2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
SMILESC[NH+](Cc1ccccc1NCC(=O)NNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H30N4O2/c1-27(20-13-6-3-7-14-20)17-19-12-8-9-15-21(19)24-16-22(28)25-26-23(29)18-10-4-2-5-11-18/h2,4-5,8-12,15,20,24H,3,6-7,13-14,16-17H2,1H3,(H,25,28)(H,26,29)/p+1
InChIKeyLGVRYRMHGONCJS-UHFFFAOYSA-O
MW395.53 g/mol
LogP1.91
Rot. Bonds7

About [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium

[2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium (PubChem CID 7987477) has the molecular formula C23H31N4O2+ and a molecular weight of 395.53 g/mol. Its IUPAC name is [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium.

Molecular Properties

Compound Name[2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
PubChem CID7987477
Molecular FormulaC23H31N4O2+
Molecular Weight395.53 g/mol
Exact Mass395.24
IUPAC Name[2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
SMILESC[NH+](Cc1ccccc1NCC(=O)NNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H30N4O2/c1-27(20-13-6-3-7-14-20)17-19-12-8-9-15-21(19)24-16-22(28)25-26-23(29)18-10-4-2-5-11-18/h2,4-5,8-12,15,20,24H,3,6-7,13-14,16-17H2,1H3,(H,25,28)(H,26,29)/p+1
InChIKeyLGVRYRMHGONCJS-UHFFFAOYSA-O
XLogP1.91
TPSA74.67 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium
CID 9104659
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925439
N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide
CID 90371495
cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8902222
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide
CID 71882424
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
cyclohexyl-methyl-[[2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]phenyl]methyl]azanium
CID 2412580
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium?
The IUPAC name of [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium (CID 7987477) is [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium.
What is the SMILES notation for [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium?
The canonical SMILES for [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium is C[NH+](Cc1ccccc1NCC(=O)NNC(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium?
The InChIKey is LGVRYRMHGONCJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N4O2/c1-27(20-13-6-3-7-14-20)17-19-12-8-9-15-21(19)24-16-22(28)25-26-23(29)18-10-4-2-5-11-18/h2,4-5,8-12,15,20,24H,3,6-7,13-14,16-17H2,1H3,(H,25,28)(H,26,29)/p+1.
What are the key properties of [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium?
[2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium has a molecular weight of 395.53 g/mol, XLogP of 1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium is sourced from PubChem (CID 7987477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).