N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide

C18H23NO2 — CID 71720745

IUPACN-hydroxy-2-(3-phenyl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)NO
InChIInChI=1S/C18H23NO2/c20-16(19-21)11-17-7-13-6-14(8-17)10-18(9-13,12-17)15-4-2-1-3-5-15/h1-5,13-14,21H,6-12H2,(H,19,20)
InChIKeyLOOCMEANYXITRW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.42
Rot. Bonds3

About N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide

N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide (PubChem CID 71720745) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-phenyl-1-adamantyl)acetamide
PubChem CID71720745
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-hydroxy-2-(3-phenyl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)NO
InChIInChI=1S/C18H23NO2/c20-16(19-21)11-17-7-13-6-14(8-17)10-18(9-13,12-17)15-4-2-1-3-5-15/h1-5,13-14,21H,6-12H2,(H,19,20)
InChIKeyLOOCMEANYXITRW-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.42
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide?
The IUPAC name of N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide (CID 71720745) is N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide.
What is the SMILES notation for N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide?
The canonical SMILES for N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide is O=C(CC12CC3CC(C1)CC(c1ccccc1)(C3)C2)NO.
What is the InChIKey of N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide?
The InChIKey is LOOCMEANYXITRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-16(19-21)11-17-7-13-6-14(8-17)10-18(9-13,12-17)15-4-2-1-3-5-15/h1-5,13-14,21H,6-12H2,(H,19,20).
What are the key properties of N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide?
N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-phenyl-1-adamantyl)acetamide is sourced from PubChem (CID 71720745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).