N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide

C24H27NO2 — CID 71718287

IUPACN-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccc(-c4ccccc4)cc1)(C3)C2)NO
InChIInChI=1S/C24H27NO2/c26-22(25-27)15-23-11-17-10-18(12-23)14-24(13-17,16-23)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-9,17-18,27H,10-16H2,(H,25,26)
InChIKeyUYRAOYCLFKFZJH-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.09
Rot. Bonds4

About N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide

N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide (PubChem CID 71718287) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide
PubChem CID71718287
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccc(-c4ccccc4)cc1)(C3)C2)NO
InChIInChI=1S/C24H27NO2/c26-22(25-27)15-23-11-17-10-18(12-23)14-24(13-17,16-23)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-9,17-18,27H,10-16H2,(H,25,26)
InChIKeyUYRAOYCLFKFZJH-UHFFFAOYSA-N
XLogP5.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide 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-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide?
The IUPAC name of N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide (CID 71718287) is N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide?
The canonical SMILES for N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide is O=C(CC12CC3CC(C1)CC(c1ccc(-c4ccccc4)cc1)(C3)C2)NO.
What is the InChIKey of N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide?
The InChIKey is UYRAOYCLFKFZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c26-22(25-27)15-23-11-17-10-18(12-23)14-24(13-17,16-23)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-9,17-18,27H,10-16H2,(H,25,26).
What are the key properties of N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide?
N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-(4-phenylphenyl)-1-adamantyl]acetamide is sourced from PubChem (CID 71718287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).