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

C20H27NO2 — CID 9034291

IUPACN-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c1
InChIInChI=1S/C20H27NO2/c1-13-3-4-14(2)17(5-13)21-18(22)11-19-7-15-6-16(8-19)10-20(23,9-15)12-19/h3-5,15-16,23H,6-12H2,1-2H3,(H,21,22)/t15-,16+,19?,20?
InChIKeyDISSOEQYFCTMMP-BANKROOTSA-N
MW313.44 g/mol
LogP3.96
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide (PubChem CID 9034291) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
PubChem CID9034291
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
SMILESCc1ccc(C)c(NC(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c1
InChIInChI=1S/C20H27NO2/c1-13-3-4-14(2)17(5-13)21-18(22)11-19-7-15-6-16(8-19)10-20(23,9-15)12-19/h3-5,15-16,23H,6-12H2,1-2H3,(H,21,22)/t15-,16+,19?,20?
InChIKeyDISSOEQYFCTMMP-BANKROOTSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 24540776
methyl 3-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]-4-methylbenzoate
CID 9378234
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 9270815
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9127603
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
[2-(4-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126908
[2-(3-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126869
2-(1-adamantyl)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 2958689
2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24544705

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide (CID 9034291) is N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide is Cc1ccc(C)c(NC(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide?
The InChIKey is DISSOEQYFCTMMP-BANKROOTSA-N. The full InChI is InChI=1S/C20H27NO2/c1-13-3-4-14(2)17(5-13)21-18(22)11-19-7-15-6-16(8-19)10-20(23,9-15)12-19/h3-5,15-16,23H,6-12H2,1-2H3,(H,21,22)/t15-,16+,19?,20?.
What are the key properties of N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide?
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide has a molecular weight of 313.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide is sourced from PubChem (CID 9034291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).