2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide

C21H26N2O2 — CID 953646

IUPAC2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccccc1N1CCC(C)CC1
InChIInChI=1S/C21H26N2O2/c1-16-11-13-23(14-12-16)19-9-5-4-8-18(19)22-21(24)15-25-20-10-6-3-7-17(20)2/h3-10,16H,11-15H2,1-2H3,(H,22,24)
InChIKeyDXEUTISKCHHBOU-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.25
Rot. Bonds5

About 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide

2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 953646) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID953646
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccccc1N1CCC(C)CC1
InChIInChI=1S/C21H26N2O2/c1-16-11-13-23(14-12-16)19-9-5-4-8-18(19)22-21(24)15-25-20-10-6-3-7-17(20)2/h3-10,16H,11-15H2,1-2H3,(H,22,24)
InChIKeyDXEUTISKCHHBOU-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
N-(5-Acetylamino-2-methoxy-benzyl)-2-morpholin-4-yl-acetamide
CID 831396
2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
Acetamide, N-(4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55424
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
N-(4-methylphenyl)-2-phenoxyacetamide
CID 689977
1-(2-(2-Fluorobenzyloxy)phenyl)piperazine
CID 45483446
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 953646) is 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide is Cc1ccccc1OCC(=O)Nc1ccccc1N1CCC(C)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is DXEUTISKCHHBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-11-13-23(14-12-16)19-9-5-4-8-18(19)22-21(24)15-25-20-10-6-3-7-17(20)2/h3-10,16H,11-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 953646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).