2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide

C19H25NO2 — CID 3340169

IUPAC2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NO2/c1-12-2-3-17(21)16(4-12)20-18(22)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15,21H,5-11H2,1H3,(H,20,22)
InChIKeyJSZLPRKBAWTBOK-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.25
Rot. Bonds3

About 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide

2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide (PubChem CID 3340169) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
PubChem CID3340169
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NO2/c1-12-2-3-17(21)16(4-12)20-18(22)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15,21H,5-11H2,1H3,(H,20,22)
InChIKeyJSZLPRKBAWTBOK-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 24540776
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
2-(1-adamantyl)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 2958689
N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide
CID 87750237
N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide
CID 108509078
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
methyl 3-(2-hydroxy-5-methylanilino)-3-oxopropanoate
CID 53375446
2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
CID 3951233
2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135816259
2-(1-adamantyl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297738
2-(1-adamantyl)-N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]acetamide
CID 4286477

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide (CID 3340169) is 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide is Cc1ccc(O)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide?
The InChIKey is JSZLPRKBAWTBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-2-3-17(21)16(4-12)20-18(22)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h2-4,13-15,21H,5-11H2,1H3,(H,20,22).
What are the key properties of 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide?
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide has a molecular weight of 299.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 3340169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).