2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide

C20H24N4O2 — CID 51117266

IUPAC2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C20H24N4O2/c25-18(23-16-1-3-17(4-2-16)24-21-5-6-22-24)12-19-8-14-7-15(9-19)11-20(26,10-14)13-19/h1-6,14-15,26H,7-13H2,(H,23,25)
InChIKeyYCUNUIOIMIWWRT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.93
Rot. Bonds4

About 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide

2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide (PubChem CID 51117266) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide
PubChem CID51117266
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C20H24N4O2/c25-18(23-16-1-3-17(4-2-16)24-21-5-6-22-24)12-19-8-14-7-15(9-19)11-20(26,10-14)13-19/h1-6,14-15,26H,7-13H2,(H,23,25)
InChIKeyYCUNUIOIMIWWRT-UHFFFAOYSA-N
XLogP2.93
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
CID 42944699
2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 24620546
N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 102554342
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 9277369
[2-(4-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126908
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126954
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
2-(1-adamantyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 3158011
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(3-nitrophenyl)acetamide
CID 9040930

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide (CID 51117266) is 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide is O=C(CC12CC3CC(CC(O)(C3)C1)C2)Nc1ccc(-n2nccn2)cc1.
What is the InChIKey of 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide?
The InChIKey is YCUNUIOIMIWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18(23-16-1-3-17(4-2-16)24-21-5-6-22-24)12-19-8-14-7-15(9-19)11-20(26,10-14)13-19/h1-6,14-15,26H,7-13H2,(H,23,25).
What are the key properties of 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide?
2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 51117266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).