N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide

C20H27NO4 — CID 7707186

IUPACN-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO4/c1-23-16-6-17(24-2)8-18(7-16)25-12-19(22)21-20-9-13-3-14(10-20)5-15(4-13)11-20/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,21,22)
InChIKeyCSKZPVYKBSAVMK-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.17
Rot. Bonds6

About N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide

N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide (PubChem CID 7707186) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
PubChem CID7707186
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC NameN-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27NO4/c1-23-16-6-17(24-2)8-18(7-16)25-12-19(22)21-20-9-13-3-14(10-20)5-15(4-13)11-20/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,21,22)
InChIKeyCSKZPVYKBSAVMK-UHFFFAOYSA-N
XLogP3.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 3901343
N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611574
N-(1-adamantyl)-2-(4-nitrophenoxy)acetamide
CID 4212692
N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
CID 5022507
1-(1-adamantyl)-3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]urea
CID 5173560
N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide
CID 75136185
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318028
N-(1-adamantyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24650546
2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide
CID 116820842
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide (CID 7707186) is N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide is COc1cc(OC)cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide?
The InChIKey is CSKZPVYKBSAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-23-16-6-17(24-2)8-18(7-16)25-12-19(22)21-20-9-13-3-14(10-20)5-15(4-13)11-20/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,21,22).
What are the key properties of N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide?
N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide has a molecular weight of 345.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 7707186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).