2-(3-hydroxy-1-adamantyl)-N-phenylacetamide

C18H23NO2 — CID 18104229

IUPAC2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1
InChIInChI=1S/C18H23NO2/c20-16(19-15-4-2-1-3-5-15)11-17-7-13-6-14(8-17)10-18(21,9-13)12-17/h1-5,13-14,21H,6-12H2,(H,19,20)
InChIKeyATADHCRHFKOVPJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide

2-(3-hydroxy-1-adamantyl)-N-phenylacetamide (PubChem CID 18104229) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
PubChem CID18104229
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1
InChIInChI=1S/C18H23NO2/c20-16(19-15-4-2-1-3-5-15)11-17-7-13-6-14(8-17)10-18(21,9-13)12-17/h1-5,13-14,21H,6-12H2,(H,19,20)
InChIKeyATADHCRHFKOVPJ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(3-nitrophenyl)acetamide
CID 9040930
2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide
CID 51117266
2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 24620546
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291
2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 24540776
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 17421165
2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24544705
[2-(4-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126908
2-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-adamantyl]-N-pyridin-2-ylacetamide
CID 23934530
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 9270815

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide?
The IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide (CID 18104229) is 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide?
The canonical SMILES for 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide is O=C(CC12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1.
What is the InChIKey of 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide?
The InChIKey is ATADHCRHFKOVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-16(19-15-4-2-1-3-5-15)11-17-7-13-6-14(8-17)10-18(21,9-13)12-17/h1-5,13-14,21H,6-12H2,(H,19,20).
What are the key properties of 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide?
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide has a molecular weight of 285.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-adamantyl)-N-phenylacetamide is sourced from PubChem (CID 18104229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).