2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

C22H33ClN2O2 — CID 2882841

IUPAC2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
SMILESCN(C)CCNC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.Cl
InChIInChI=1S/C22H32N2O2.ClH/c1-24(2)8-7-23-21(25)15-26-20-5-3-19(4-6-20)22-12-16-9-17(13-22)11-18(10-16)14-22;/h3-6,16-18H,7-15H2,1-2H3,(H,23,25);1H
InChIKeyKEGLWZCLIHCDGU-UHFFFAOYSA-N
MW392.97 g/mol
LogP3.63
Rot. Bonds7

About 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (PubChem CID 2882841) has the molecular formula C22H33ClN2O2 and a molecular weight of 392.97 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
PubChem CID2882841
Molecular FormulaC22H33ClN2O2
Molecular Weight392.97 g/mol
Exact Mass392.22
IUPAC Name2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
SMILESCN(C)CCNC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.Cl
InChIInChI=1S/C22H32N2O2.ClH/c1-24(2)8-7-23-21(25)15-26-20-5-3-19(4-6-20)22-12-16-9-17(13-22)11-18(10-16)14-22;/h3-6,16-18H,7-15H2,1-2H3,(H,23,25);1H
InChIKeyKEGLWZCLIHCDGU-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.97
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 24987382
CID 24987382
Acetamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N,N-diethyl-
CID 86318
2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405885
2-p-Tolyloxy-N-{2-[4-(2-p-tolyloxy-acetyl)-piperazin-1-yl]-ethyl}-acetamide
CID 650311
N,N-diethyl-2-(4-phenylphenoxy)acetamide
CID 717707
2-(3,4-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 807900
4-[(4-Tert-butylphenoxy)acetyl]-1-piperazinecarbaldehyde
CID 873914
N-ethyl-2-(4-phenylphenoxy)acetamide
CID 2550541
2-[4-(1-Adamantyl)phenoxy]acetamide
CID 2836006
2-[4-({[1-(1-Adamantyl)ethyl]amino}methyl)phenoxy]acetamide hydrochloride
CID 2962420
2-[4-(1-Adamantyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 3434638
2-(4-tert-butylphenoxy)-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}acetamide
CID 16015436

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (CID 2882841) is 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is CN(C)CCNC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.Cl.
What is the InChIKey of 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
The InChIKey is KEGLWZCLIHCDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2.ClH/c1-24(2)8-7-23-21(25)15-26-20-5-3-19(4-6-20)22-12-16-9-17(13-22)11-18(10-16)14-22;/h3-6,16-18H,7-15H2,1-2H3,(H,23,25);1H.
What are the key properties of 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?
2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 392.97 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)phenoxy]-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 2882841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).