2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide

C20H27NO3 — CID 9270327

IUPAC2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C20H27NO3/c1-24-17-5-3-2-4-16(17)12-21-18(22)11-19-7-14-6-15(8-19)10-20(23,9-14)13-19/h2-5,14-15,23H,6-13H2,1H3,(H,21,22)/t14-,15+,19?,20?
InChIKeySMZWNRYSIFNYKA-JNKARSBBSA-N
MW329.44 g/mol
LogP3.03
Rot. Bonds5

About 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 9270327) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID9270327
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C20H27NO3/c1-24-17-5-3-2-4-16(17)12-21-18(22)11-19-7-14-6-15(8-19)10-20(23,9-14)13-19/h2-5,14-15,23H,6-13H2,1H3,(H,21,22)/t14-,15+,19?,20?
InChIKeySMZWNRYSIFNYKA-JNKARSBBSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[2-(2-methoxyphenyl)ethyl]adamantane-1-carboxamide
CID 42907591
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
N'-[2-(3-hydroxy-1-adamantyl)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 24553914
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(1-adamantyl)-2-bromoacetate
CID 32736381
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 4810871
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11926440
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 17421165
2-[(5S,7S)-3-bromo-1-adamantyl]-N-(2-methoxyphenyl)acetamide
CID 98144134
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[(5R,7R)-3-hydroxy-1-adamantyl]acetamide
CID 98129447
2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24544705
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24549163
2-(1-adamantyl)-N-benzylacetamide
CID 3560004

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 9270327) is 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is SMZWNRYSIFNYKA-JNKARSBBSA-N. The full InChI is InChI=1S/C20H27NO3/c1-24-17-5-3-2-4-16(17)12-21-18(22)11-19-7-14-6-15(8-19)10-20(23,9-14)13-19/h2-5,14-15,23H,6-13H2,1H3,(H,21,22)/t14-,15+,19?,20?.
What are the key properties of 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9270327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).