N-(1-adamantyl)-4-hydroxy-2-methylbenzamide

C18H23NO2 — CID 103863609

IUPACN-(1-adamantyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO2/c1-11-4-15(20)2-3-16(11)17(21)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14,20H,5-10H2,1H3,(H,19,21)
InChIKeyWHGYWUQYOIVFFB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds2

About N-(1-adamantyl)-4-hydroxy-2-methylbenzamide

N-(1-adamantyl)-4-hydroxy-2-methylbenzamide (PubChem CID 103863609) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-adamantyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-hydroxy-2-methylbenzamide
PubChem CID103863609
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(1-adamantyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO2/c1-11-4-15(20)2-3-16(11)17(21)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14,20H,5-10H2,1H3,(H,19,21)
InChIKeyWHGYWUQYOIVFFB-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078
N-(1-adamantyl)-2,5-dimethylbenzamide
CID 7732516
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(1-adamantyl)-4-chloro-2-fluorobenzamide
CID 46697450
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
CID 113341747
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501
N-(1-adamantyl)-5-fluoro-2-hydroxybenzamide
CID 115298818
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-hydroxy-2-methylbenzamide
CID 107673046
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
N-(1-adamantyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337054

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-adamantyl)-4-hydroxy-2-methylbenzamide (CID 103863609) is N-(1-adamantyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-adamantyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is WHGYWUQYOIVFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-11-4-15(20)2-3-16(11)17(21)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14,20H,5-10H2,1H3,(H,19,21).
What are the key properties of N-(1-adamantyl)-4-hydroxy-2-methylbenzamide?
N-(1-adamantyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 285.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103863609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).