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

C19H25NO2 — CID 71718889

IUPACN-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide
SMILESCc1ccc(C23CC4CC(CC(CC(=O)NO)(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2/c1-13-2-4-16(5-3-13)19-9-14-6-15(10-19)8-18(7-14,12-19)11-17(21)20-22/h2-5,14-15,22H,6-12H2,1H3,(H,20,21)
InChIKeyGKOJBLHCGZKDNO-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.73
Rot. Bonds3

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

N-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide (PubChem CID 71718889) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide
PubChem CID71718889
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide
SMILESCc1ccc(C23CC4CC(CC(CC(=O)NO)(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2/c1-13-2-4-16(5-3-13)19-9-14-6-15(10-19)8-18(7-14,12-19)11-17(21)20-22/h2-5,14-15,22H,6-12H2,1H3,(H,20,21)
InChIKeyGKOJBLHCGZKDNO-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.73
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-(4-methylphenyl)-1-adamantyl]acetamide?
The IUPAC name of N-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide (CID 71718889) is N-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide?
The canonical SMILES for N-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide is Cc1ccc(C23CC4CC(CC(CC(=O)NO)(C4)C2)C3)cc1.
What is the InChIKey of N-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide?
The InChIKey is GKOJBLHCGZKDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-2-4-16(5-3-13)19-9-14-6-15(10-19)8-18(7-14,12-19)11-17(21)20-22/h2-5,14-15,22H,6-12H2,1H3,(H,20,21).
What are the key properties of N-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide?
N-hydroxy-2-[3-(4-methylphenyl)-1-adamantyl]acetamide has a molecular weight of 299.41 g/mol, XLogP of 3.73, 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-(4-methylphenyl)-1-adamantyl]acetamide is sourced from PubChem (CID 71718889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).