N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide

C26H28N2O2 — CID 4833535

IUPACN-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide
SMILESO=C(CON=C1c2ccccc2-c2ccccc21)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H28N2O2/c29-24(27-16-26-12-17-9-18(13-26)11-19(10-17)14-26)15-30-28-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-8,17-19H,9-16H2,(H,27,29)
InChIKeyICNPUGARHHPAQC-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.77
Rot. Bonds5

About N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide

N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide (PubChem CID 4833535) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide
PubChem CID4833535
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide
SMILESO=C(CON=C1c2ccccc2-c2ccccc21)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H28N2O2/c29-24(27-16-26-12-17-9-18(13-26)11-19(10-17)14-26)15-30-28-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-8,17-19H,9-16H2,(H,27,29)
InChIKeyICNPUGARHHPAQC-UHFFFAOYSA-N
XLogP4.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.77
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'}

Analyze N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide (CID 4833535) is N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide is O=C(CON=C1c2ccccc2-c2ccccc21)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide?
The InChIKey is ICNPUGARHHPAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c29-24(27-16-26-12-17-9-18(13-26)11-19(10-17)14-26)15-30-28-25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-8,17-19H,9-16H2,(H,27,29).
What are the key properties of N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide?
N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide has a molecular weight of 400.52 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(fluoren-9-ylideneamino)oxyacetamide is sourced from PubChem (CID 4833535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).