N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

C20H26N2O2 — CID 7705203

IUPACN-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26N2O2/c1-14-2-4-15(5-3-14)12-21-24-13-19(23)22-20-9-16-6-17(10-20)8-18(7-16)11-20/h2-5,12,16-18H,6-11,13H2,1H3,(H,22,23)/b21-12-
InChIKeyOESRKEGGEUZVRK-MTJSOVHGSA-N
MW326.44 g/mol
LogP3.43
Rot. Bonds5

About N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (PubChem CID 7705203) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
PubChem CID7705203
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26N2O2/c1-14-2-4-15(5-3-14)12-21-24-13-19(23)22-20-9-16-6-17(10-20)8-18(7-16)11-20/h2-5,12,16-18H,6-11,13H2,1H3,(H,22,23)/b21-12-
InChIKeyOESRKEGGEUZVRK-MTJSOVHGSA-N
XLogP3.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
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-(1-adamantyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663754
2-(1-adamantyl)-N'-[2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
CID 9474937
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide
CID 7644075
[2-(1-adamantylamino)-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7883105
[2-(1-adamantylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535361
[2-(1-adamantylamino)-2-oxoethyl] 3-(4-chlorophenyl)prop-2-enoate
CID 4801681
N-(5-methyl-1,2-oxazol-3-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705533
4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
CID 7705350
N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705493
N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide
CID 75136185
(2R)-2-methyl-3-[(E)-(4-methylphenyl)methylideneamino]oxypropanoic acid
CID 11042278
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (CID 7705203) is N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is Cc1ccc(/C=N\OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The InChIKey is OESRKEGGEUZVRK-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-2-4-15(5-3-14)12-21-24-13-19(23)22-20-9-16-6-17(10-20)8-18(7-16)11-20/h2-5,12,16-18H,6-11,13H2,1H3,(H,22,23)/b21-12-.
What are the key properties of N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide has a molecular weight of 326.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7705203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).