[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate

C21H24N2O4 — CID 8956768

IUPAC[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate
SMILESCC(C)Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14(2)13-16-9-11-18(12-10-16)21(26)27-15(3)19(24)22-23-20(25)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyVNJUHTWBMFMWBC-HNNXBMFYSA-N
MW368.43 g/mol
LogP2.89
Rot. Bonds6

About [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate

[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate (PubChem CID 8956768) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate
PubChem CID8956768
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate
SMILESCC(C)Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-14(2)13-16-9-11-18(12-10-16)21(26)27-15(3)19(24)22-23-20(25)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyVNJUHTWBMFMWBC-HNNXBMFYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8877793
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 9064395
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 8872704
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(2-methylpropoxy)benzoate
CID 9061188
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8868567
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 8862579
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate
CID 8956278
(1-amino-1-oxopropan-2-yl) 4-(2-methylpropyl)benzoate
CID 47006811
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 8860466
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate
CID 8871469

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate?
The IUPAC name of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate (CID 8956768) is [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate.
What is the SMILES notation for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate?
The canonical SMILES for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate is CC(C)Cc1ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate?
The InChIKey is VNJUHTWBMFMWBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)13-16-9-11-18(12-10-16)21(26)27-15(3)19(24)22-23-20(25)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,22,24)(H,23,25)/t15-/m0/s1.
What are the key properties of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate?
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate has a molecular weight of 368.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate is sourced from PubChem (CID 8956768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).