N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide

C21H26N2O3 — CID 2677622

IUPACN-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-15-12-16(2)21(17(3)13-15)26-14-20(24)22-18-6-4-5-7-19(18)23-8-10-25-11-9-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)
InChIKeyPCCJTUMZBUQUBU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.47
Rot. Bonds5

About N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 2677622) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID2677622
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-15-12-16(2)21(17(3)13-15)26-14-20(24)22-18-6-4-5-7-19(18)23-8-10-25-11-9-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)
InChIKeyPCCJTUMZBUQUBU-UHFFFAOYSA-N
XLogP3.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
1-[(2,4,6-Trimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride (4)
CID 91937906
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
6-{2-[4-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319235
2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
N-[4-(4-Methanesulfonyl-piperazin-1-yl)-phenyl]-2-o-tolyloxy-acetamide
CID 655939
N-[3-(acetylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 683793
2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 729609
2-(2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 759341
2-(2-methylphenoxy)-N-(2-phenylphenyl)acetamide
CID 879266
N-(4-acetamidophenyl)-2-(4-phenylphenoxy)acetamide
CID 1015551

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 2677622) is N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is PCCJTUMZBUQUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-12-16(2)21(17(3)13-15)26-14-20(24)22-18-6-4-5-7-19(18)23-8-10-25-11-9-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 2677622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).