N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide

C16H21N3O2 — CID 4925063

IUPACN-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NN=Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c20-15(19-18-11-13-7-3-1-4-8-13)12-17-16(21)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,17,21)(H,19,20)
InChIKeyRBOVSWVYGMDBPP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4925063) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4925063
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NN=Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c20-15(19-18-11-13-7-3-1-4-8-13)12-17-16(21)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,17,21)(H,19,20)
InChIKeyRBOVSWVYGMDBPP-UHFFFAOYSA-N
XLogP1.83
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925009
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925017
N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 135678472
N-[2-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925054
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757
N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925196
N-phenacylcyclohexanecarboxamide
CID 54070217
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 3520224

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide (CID 4925063) is N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NN=Cc1ccccc1.
What is the InChIKey of N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is RBOVSWVYGMDBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(19-18-11-13-7-3-1-4-8-13)12-17-16(21)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,17,21)(H,19,20).
What are the key properties of N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).