ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate

C17H24N2O3 — CID 142714255

IUPACethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate
SMILESCCOC(=O)[C@@H](NNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)15(13-9-5-3-6-10-13)18-19-16(20)14-11-7-4-8-12-14/h4,7-8,11-13,15,18H,2-3,5-6,9-10H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyHHNIQVWSUILLBC-HNNXBMFYSA-N
MW304.39 g/mol
LogP2.43
Rot. Bonds6

About ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate

ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate (PubChem CID 142714255) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate
PubChem CID142714255
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate
SMILESCCOC(=O)[C@@H](NNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)15(13-9-5-3-6-10-13)18-19-16(20)14-11-7-4-8-12-14/h4,7-8,11-13,15,18H,2-3,5-6,9-10H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyHHNIQVWSUILLBC-HNNXBMFYSA-N
XLogP2.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate?
The IUPAC name of ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate (CID 142714255) is ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate.
What is the SMILES notation for ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate?
The canonical SMILES for ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate is CCOC(=O)[C@@H](NNC(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate?
The InChIKey is HHNIQVWSUILLBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-22-17(21)15(13-9-5-3-6-10-13)18-19-16(20)14-11-7-4-8-12-14/h4,7-8,11-13,15,18H,2-3,5-6,9-10H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate?
ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate has a molecular weight of 304.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate is sourced from PubChem (CID 142714255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).