benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate

C24H23N3O4 — CID 40727876

IUPACbenzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H23N3O4/c28-22(20-14-8-3-9-15-20)26-27-23(29)21(16-18-10-4-1-5-11-18)25-24(30)31-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1
InChIKeyJHHSDIZOFCKLTQ-NRFANRHFSA-N
MW417.47 g/mol
LogP2.99
Rot. Bonds7

About benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 40727876) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID40727876
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Namebenzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H23N3O4/c28-22(20-14-8-3-9-15-20)26-27-23(29)21(16-18-10-4-1-5-11-18)25-24(30)31-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1
InChIKeyJHHSDIZOFCKLTQ-NRFANRHFSA-N
XLogP2.99
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 40727876) is benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is JHHSDIZOFCKLTQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-22(20-14-8-3-9-15-20)26-27-23(29)21(16-18-10-4-1-5-11-18)25-24(30)31-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 417.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(2-benzoylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 40727876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).