ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate

C18H26N2O3 — CID 142705382

IUPACethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate
SMILESCCOC(=O)C(C)(NNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-3-23-17(22)18(2,15-12-8-5-9-13-15)20-19-16(21)14-10-6-4-7-11-14/h4,6-7,10-11,15,20H,3,5,8-9,12-13H2,1-2H3,(H,19,21)
InChIKeySUEFCQRZFRLTRS-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.82
Rot. Bonds6

About ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate

ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate (PubChem CID 142705382) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate
PubChem CID142705382
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate
SMILESCCOC(=O)C(C)(NNC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-3-23-17(22)18(2,15-12-8-5-9-13-15)20-19-16(21)14-10-6-4-7-11-14/h4,6-7,10-11,15,20H,3,5,8-9,12-13H2,1-2H3,(H,19,21)
InChIKeySUEFCQRZFRLTRS-UHFFFAOYSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.82
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

ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate
CID 63526274
ethyl (2S)-2-(2-benzoylhydrazinyl)-2-cyclohexylacetate
CID 142714255
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
ethyl 2-cyclohexyl-2-(prop-2-ynylamino)propanoate
CID 63323924
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684
ethyl 2-cyclohexyl-2-hydroxy-3,4-dimethyl-4-phenylpentanoate
CID 174492804
N'-(1-ethoxy-1-phenylethyl)benzohydrazide
CID 142685922
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
ethyl 2-cyclopropyl-2-(methylamino)propanoate
CID 60788390
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate?
The IUPAC name of ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate (CID 142705382) is ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate.
What is the SMILES notation for ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate?
The canonical SMILES for ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate is CCOC(=O)C(C)(NNC(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate?
The InChIKey is SUEFCQRZFRLTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-17(22)18(2,15-12-8-5-9-13-15)20-19-16(21)14-10-6-4-7-11-14/h4,6-7,10-11,15,20H,3,5,8-9,12-13H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate?
ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate has a molecular weight of 318.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzoylhydrazinyl)-2-cyclohexylpropanoate is sourced from PubChem (CID 142705382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).