N-(1-adamantylmethyl)-2-hydroxybenzamide

C18H23NO2 — CID 8923901

IUPACN-(1-adamantylmethyl)-2-hydroxybenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1O
InChIInChI=1S/C18H23NO2/c20-16-4-2-1-3-15(16)17(21)19-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H,19,21)
InChIKeyPXHSQBFLYIOAOJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.34
Rot. Bonds3

About N-(1-adamantylmethyl)-2-hydroxybenzamide

N-(1-adamantylmethyl)-2-hydroxybenzamide (PubChem CID 8923901) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-hydroxybenzamide
PubChem CID8923901
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(1-adamantylmethyl)-2-hydroxybenzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1O
InChIInChI=1S/C18H23NO2/c20-16-4-2-1-3-15(16)17(21)19-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H,19,21)
InChIKeyPXHSQBFLYIOAOJ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-hydroxybenzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-hydroxybenzamide (CID 8923901) is N-(1-adamantylmethyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-hydroxybenzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-hydroxybenzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1O.
What is the InChIKey of N-(1-adamantylmethyl)-2-hydroxybenzamide?
The InChIKey is PXHSQBFLYIOAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-16-4-2-1-3-15(16)17(21)19-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H,19,21).
What are the key properties of N-(1-adamantylmethyl)-2-hydroxybenzamide?
N-(1-adamantylmethyl)-2-hydroxybenzamide has a molecular weight of 285.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-hydroxybenzamide is sourced from PubChem (CID 8923901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).