[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium

C23H32N3O2+ — CID 9129569

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-16(2)21(17-11-13-19(14-12-17)23(3,4)5)24-15-20(27)25-26-22(28)18-9-7-6-8-10-18/h6-14,16,21,24H,15H2,1-5H3,(H,25,27)(H,26,28)/p+1/t21-/m1/s1
InChIKeyQOMBLJNZBAPYEJ-OAQYLSRUSA-O
MW382.53 g/mol
LogP2.71
Rot. Bonds6

About [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium (PubChem CID 9129569) has the molecular formula C23H32N3O2+ and a molecular weight of 382.53 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
PubChem CID9129569
Molecular FormulaC23H32N3O2+
Molecular Weight382.53 g/mol
Exact Mass382.25
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-16(2)21(17-11-13-19(14-12-17)23(3,4)5)24-15-20(27)25-26-22(28)18-9-7-6-8-10-18/h6-14,16,21,24H,15H2,1-5H3,(H,25,27)(H,26,28)/p+1/t21-/m1/s1
InChIKeyQOMBLJNZBAPYEJ-OAQYLSRUSA-O
XLogP2.71
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 9129533
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897547
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129818
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070
[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium
CID 9129510
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375590
[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923638
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132137
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132135
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9131705
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium (CID 9129569) is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium is CC(C)[C@@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium?
The InChIKey is QOMBLJNZBAPYEJ-OAQYLSRUSA-O. The full InChI is InChI=1S/C23H31N3O2/c1-16(2)21(17-11-13-19(14-12-17)23(3,4)5)24-15-20(27)25-26-22(28)18-9-7-6-8-10-18/h6-14,16,21,24H,15H2,1-5H3,(H,25,27)(H,26,28)/p+1/t21-/m1/s1.
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium?
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium has a molecular weight of 382.53 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium is sourced from PubChem (CID 9129569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).