2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide

C22H30N2O3 — CID 7867259

IUPAC2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c1-14(22-10-16-7-17(11-22)9-18(8-16)12-22)23-21(26)13-27-20-6-4-3-5-19(20)24-15(2)25/h3-6,14,16-18H,7-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,16?,17?,18?,22?/m1/s1
InChIKeyBOXORFKOYMHCHH-YMXMSLLWSA-N
MW370.49 g/mol
LogP3.74
Rot. Bonds6

About 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide

2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide (PubChem CID 7867259) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
PubChem CID7867259
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c1-14(22-10-16-7-17(11-22)9-18(8-16)12-22)23-21(26)13-27-20-6-4-3-5-19(20)24-15(2)25/h3-6,14,16-18H,7-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,16?,17?,18?,22?/m1/s1
InChIKeyBOXORFKOYMHCHH-YMXMSLLWSA-N
XLogP3.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 4805369
1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
CID 108866526
2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9030121
2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 9018049
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 8000690
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 16540227
4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931345
N-[(1R)-1-(1-adamantyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355818
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7695372

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide (CID 7867259) is 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide?
The InChIKey is BOXORFKOYMHCHH-YMXMSLLWSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-14(22-10-16-7-17(11-22)9-18(8-16)12-22)23-21(26)13-27-20-6-4-3-5-19(20)24-15(2)25/h3-6,14,16-18H,7-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,16?,17?,18?,22?/m1/s1.
What are the key properties of 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide?
2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide has a molecular weight of 370.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide is sourced from PubChem (CID 7867259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).