N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide

C18H23NO3 — CID 78773695

IUPACN-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO3/c20-15-3-1-2-4-16(15)22-11-17(21)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H,19,21)
InChIKeyMWXWSGVFUUDYER-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.86
Rot. Bonds4

About N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide

N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide (PubChem CID 78773695) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
PubChem CID78773695
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO3/c20-15-3-1-2-4-16(15)22-11-17(21)19-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H,19,21)
InChIKeyMWXWSGVFUUDYER-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-(2-phenylphenoxy)acetamide
CID 7732550
[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844599
1-[[2-(2-hydroxyphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452796
[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
CID 5022507
N-(1-adamantyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 578415
N-(1-adamantyl)-4-(2-aminophenoxy)butanamide
CID 84555980
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7707186
N-(1-adamantyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611574
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N-(1-adamantyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663754

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide (CID 78773695) is N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide is O=C(COc1ccccc1O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is MWXWSGVFUUDYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-15-3-1-2-4-16(15)22-11-17(21)19-18-8-12-5-13(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-adamantyl)-2-(2-hydroxyphenoxy)acetamide?
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 78773695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).