[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium

C17H20N3O2+ — CID 8897547

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-13(14-8-4-2-5-9-14)18-12-16(21)19-20-17(22)15-10-6-3-7-11-15/h2-11,13,18H,12H2,1H3,(H,19,21)(H,20,22)/p+1/t13-/m0/s1
InChIKeyQHRPCONPEIKKSH-ZDUSSCGKSA-O
MW298.37 g/mol
LogP0.77
Rot. Bonds5

About [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium (PubChem CID 8897547) has the molecular formula C17H20N3O2+ and a molecular weight of 298.37 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
PubChem CID8897547
Molecular FormulaC17H20N3O2+
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-13(14-8-4-2-5-9-14)18-12-16(21)19-20-17(22)15-10-6-3-7-11-15/h2-11,13,18H,12H2,1H3,(H,19,21)(H,20,22)/p+1/t13-/m0/s1
InChIKeyQHRPCONPEIKKSH-ZDUSSCGKSA-O
XLogP0.77
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.77
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

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375590
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919663
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129569
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897914
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897926
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide
CID 47123165
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-[(1R)-1-phenylethyl]azanium
CID 8898094
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684071

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium (CID 8897547) is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium is C[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium?
The InChIKey is QHRPCONPEIKKSH-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H19N3O2/c1-13(14-8-4-2-5-9-14)18-12-16(21)19-20-17(22)15-10-6-3-7-11-15/h2-11,13,18H,12H2,1H3,(H,19,21)(H,20,22)/p+1/t13-/m0/s1.
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium?
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium has a molecular weight of 298.37 g/mol, XLogP of 0.77, 5 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]-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 8897547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).