N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C17H23N3O3 — CID 4925196

IUPACN-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(=NNC(=O)CNC(=O)C1CCCCC1)c1ccccc1O
InChIInChI=1S/C17H23N3O3/c1-12(14-9-5-6-10-15(14)21)19-20-16(22)11-18-17(23)13-7-3-2-4-8-13/h5-6,9-10,13,21H,2-4,7-8,11H2,1H3,(H,18,23)(H,20,22)
InChIKeyCWCLQILBDVATOJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.93
Rot. Bonds5

About N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4925196) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4925196
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(=NNC(=O)CNC(=O)C1CCCCC1)c1ccccc1O
InChIInChI=1S/C17H23N3O3/c1-12(14-9-5-6-10-15(14)21)19-20-16(22)11-18-17(23)13-7-3-2-4-8-13/h5-6,9-10,13,21H,2-4,7-8,11H2,1H3,(H,18,23)(H,20,22)
InChIKeyCWCLQILBDVATOJ-UHFFFAOYSA-N
XLogP1.93
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 3541547
N-[2-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925186
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 5161964
N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 139929862
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
CID 4925063
2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135648810
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 136762982

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 4925196) is N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is CC(=NNC(=O)CNC(=O)C1CCCCC1)c1ccccc1O.
What is the InChIKey of N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is CWCLQILBDVATOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(14-9-5-6-10-15(14)21)19-20-16(22)11-18-17(23)13-7-3-2-4-8-13/h5-6,9-10,13,21H,2-4,7-8,11H2,1H3,(H,18,23)(H,20,22).
What are the key properties of N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).