N-(1-adamantyl)-4-methoxybenzamide

C18H23NO2 — CID 2802270

IUPACN-(1-adamantyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO2/c1-21-16-4-2-15(3-5-16)17(20)19-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H,19,20)
InChIKeyRDYGTXUJHVJVRM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.39
Rot. Bonds3

About N-(1-adamantyl)-4-methoxybenzamide

N-(1-adamantyl)-4-methoxybenzamide (PubChem CID 2802270) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-adamantyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-methoxybenzamide
PubChem CID2802270
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(1-adamantyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO2/c1-21-16-4-2-15(3-5-16)17(20)19-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H,19,20)
InChIKeyRDYGTXUJHVJVRM-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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Related Compounds

N-(4-methoxybenzyl)[1,1'-biphenyl]-4-carboxamide
CID 710674
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
trans-N-methyl-4-[4-(3-Adamantan-1-yl-ureido)-cyclohexyloxy]-benzamide
CID 71682499
N-(1-adamantyl)-3-(difluoromethoxy)benzamide
CID 4030213
4-isopropyl-N-(4-methoxybenzyl)benzamide
CID 897223
4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
N-(4-methoxybenzyl)-3-methylbenzamide
CID 710446
N-dodecyl-4-methoxybenzamide
CID 3558529
4-butoxy-N-(2-phenylethyl)benzamide
CID 1735927
N-{[1-(dimethylamino)cyclohexyl]methyl}-4-methoxybenzamide
CID 2559757
N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide
CID 3606622
N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 2854145

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-methoxybenzamide?
The IUPAC name of N-(1-adamantyl)-4-methoxybenzamide (CID 2802270) is N-(1-adamantyl)-4-methoxybenzamide.
What is the SMILES notation for N-(1-adamantyl)-4-methoxybenzamide?
The canonical SMILES for N-(1-adamantyl)-4-methoxybenzamide is COc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-4-methoxybenzamide?
The InChIKey is RDYGTXUJHVJVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-21-16-4-2-15(3-5-16)17(20)19-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H,19,20).
What are the key properties of N-(1-adamantyl)-4-methoxybenzamide?
N-(1-adamantyl)-4-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)-4-methoxybenzamide is sourced from PubChem (CID 2802270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).