N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

C21H27FN2O2 — CID 7704639

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESC[C@@H](NC(=O)CO/N=C\c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27FN2O2/c1-14(21-9-16-5-17(10-21)7-18(6-16)11-21)24-20(25)13-26-23-12-15-3-2-4-19(22)8-15/h2-4,8,12,14,16-18H,5-7,9-11,13H2,1H3,(H,24,25)/b23-12-/t14-,16?,17?,18?,21?/m1/s1
InChIKeyQVFMUBUQROLZFD-XCGSEERESA-N
MW358.46 g/mol
LogP3.90
Rot. Bonds6

About N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (PubChem CID 7704639) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
PubChem CID7704639
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESC[C@@H](NC(=O)CO/N=C\c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27FN2O2/c1-14(21-9-16-5-17(10-21)7-18(6-16)11-21)24-20(25)13-26-23-12-15-3-2-4-19(22)8-15/h2-4,8,12,14,16-18H,5-7,9-11,13H2,1H3,(H,24,25)/b23-12-/t14-,16?,17?,18?,21?/m1/s1
InChIKeyQVFMUBUQROLZFD-XCGSEERESA-N
XLogP3.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.90
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-[(1S)-1-(1-adamantyl)ethyl]-2-[(Z)-benzylideneamino]oxyacetamide
CID 7644075
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 18076207
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767174
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704854
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353
1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone
CID 86932515
N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 4805369
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759013
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7704785
N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704359

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (CID 7704639) is N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is C[C@@H](NC(=O)CO/N=C\c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The InChIKey is QVFMUBUQROLZFD-XCGSEERESA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-14(21-9-16-5-17(10-21)7-18(6-16)11-21)24-20(25)13-26-23-12-15-3-2-4-19(22)8-15/h2-4,8,12,14,16-18H,5-7,9-11,13H2,1H3,(H,24,25)/b23-12-/t14-,16?,17?,18?,21?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide has a molecular weight of 358.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7704639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).