N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide

C24H27FN2O3 — CID 7704846

IUPACN-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CO/N=C\c1cccc(F)c1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H27FN2O3/c25-21-4-1-3-17(10-21)14-26-30-16-23(28)27(15-22-5-2-6-29-22)24-11-18-7-19(12-24)9-20(8-18)13-24/h1-6,10,14,18-20H,7-9,11-13,15-16H2/b26-14-
InChIKeyVKZFMSWQLILMQG-WGARJPEWSA-N
MW410.49 g/mol
LogP4.77
Rot. Bonds7

About N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide

N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide (PubChem CID 7704846) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
PubChem CID7704846
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CO/N=C\c1cccc(F)c1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H27FN2O3/c25-21-4-1-3-17(10-21)14-26-30-16-23(28)27(15-22-5-2-6-29-22)24-11-18-7-19(12-24)9-20(8-18)13-24/h1-6,10,14,18-20H,7-9,11-13,15-16H2/b26-14-
InChIKeyVKZFMSWQLILMQG-WGARJPEWSA-N
XLogP4.77
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18275406
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985871
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704639
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549131
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 8018181
1-(3,5-dimethylpiperidin-1-yl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyethanone
CID 86932515
[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600763
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 7704833
[2-(1-adamantyl)-2-oxoethyl] (Z)-3-(3-fluorophenyl)prop-2-enoate
CID 92964577
1-(3-fluorophenyl)-N-[2-[3-[2-[(3-fluorophenyl)methylideneamino]ethyl]-1-adamantyl]ethyl]methanimine
CID 11812112
(E)-N'-[2-(1-adamantyl)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 7917923
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide (CID 7704846) is N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide is O=C(CO/N=C\c1cccc(F)c1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VKZFMSWQLILMQG-WGARJPEWSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-21-4-1-3-17(10-21)14-26-30-16-23(28)27(15-22-5-2-6-29-22)24-11-18-7-19(12-24)9-20(8-18)13-24/h1-6,10,14,18-20H,7-9,11-13,15-16H2/b26-14-.
What are the key properties of N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide has a molecular weight of 410.49 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 7704846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).