N-(1-adamantyl)-3-methoxybenzamide

C18H23NO2 — CID 3105416

IUPACN-(1-adamantyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H23NO2/c1-21-16-4-2-3-15(8-16)17(20)19-18-9-12-5-13(10-18)7-14(6-12)11-18/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,19,20)
InChIKeyWUEQHQOXCXEJSZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.39
Rot. Bonds3

About N-(1-adamantyl)-3-methoxybenzamide

N-(1-adamantyl)-3-methoxybenzamide (PubChem CID 3105416) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-adamantyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-methoxybenzamide
PubChem CID3105416
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(1-adamantyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H23NO2/c1-21-16-4-2-3-15(8-16)17(20)19-18-9-12-5-13(10-18)7-14(6-12)11-18/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,19,20)
InChIKeyWUEQHQOXCXEJSZ-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-methoxybenzamide?
The IUPAC name of N-(1-adamantyl)-3-methoxybenzamide (CID 3105416) is N-(1-adamantyl)-3-methoxybenzamide.
What is the SMILES notation for N-(1-adamantyl)-3-methoxybenzamide?
The canonical SMILES for N-(1-adamantyl)-3-methoxybenzamide is COc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-3-methoxybenzamide?
The InChIKey is WUEQHQOXCXEJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-21-16-4-2-3-15(8-16)17(20)19-18-9-12-5-13(10-18)7-14(6-12)11-18/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,19,20).
What are the key properties of N-(1-adamantyl)-3-methoxybenzamide?
N-(1-adamantyl)-3-methoxybenzamide has a molecular weight of 285.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-methoxybenzamide is sourced from PubChem (CID 3105416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).