2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide

C19H31N3O2 — CID 24534609

IUPAC2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(OCCN2CCN(CC(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-16(2)14-20-19(23)15-22-10-8-21(9-11-22)12-13-24-18-6-4-17(3)5-7-18/h4-7,16H,8-15H2,1-3H3,(H,20,23)
InChIKeyJQYGBTCVNGDIJL-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.76
Rot. Bonds8

About 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 24534609) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID24534609
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(OCCN2CCN(CC(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-16(2)14-20-19(23)15-22-10-8-21(9-11-22)12-13-24-18-6-4-17(3)5-7-18/h4-7,16H,8-15H2,1-3H3,(H,20,23)
InChIKeyJQYGBTCVNGDIJL-UHFFFAOYSA-N
XLogP1.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8907064
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112801714
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 24534609) is 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide is Cc1ccc(OCCN2CCN(CC(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is JQYGBTCVNGDIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16(2)14-20-19(23)15-22-10-8-21(9-11-22)12-13-24-18-6-4-17(3)5-7-18/h4-7,16H,8-15H2,1-3H3,(H,20,23).
What are the key properties of 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 24534609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).